Found 1672 results

Search term: MF = 'C_{23}H_{19}NO_{4}'
ChemSpider 2D Image | 10-(4-Hydroxy-3-methoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione | C23H19NO4

10-(4-Hydroxy-3-methoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione

  • Molecular FormulaC23H19NO4
  • Average mass373.401 Da
  • Monoisotopic mass373.131409 Da
  • ChemSpider ID2163661

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10-(4-Hydroxy-3-methoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]chinolin-9,11-dion [German] [ACD/IUPAC Name]
10-(4-Hydroxy-3-méthoxyphényl)-6,7,8,10-tétrahydro-5H-indéno[1,2-b]quinoléine-9,11-dione [French] [ACD/IUPAC Name]
10-(4-Hydroxy-3-methoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione [ACD/IUPAC Name]
5H-Indeno[1,2-b]quinoline-9,11-dione, 6,7,8,10-tetrahydro-10-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
10-(4-Hydroxy-3-methoxy-phenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
11-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,11-pentahydroindeno[3,2-b]quinoline-1,10-dione
372499-75-7 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 02232888 [DBID]
ChemDiv1_023548 [DBID]
ChemDivAM_001149 [DBID]
EU-0074135 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 636.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.5±3.0 kJ/mol
    Flash Point: 338.7±31.5 °C
    Index of Refraction: 1.704
    Molar Refractivity: 102.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.10
    ACD/LogD (pH 5.5): 3.29
    ACD/BCF (pH 5.5): 186.91
    ACD/KOC (pH 5.5): 1471.06
    ACD/LogD (pH 7.4): 3.29
    ACD/BCF (pH 7.4): 186.08
    ACD/KOC (pH 7.4): 1464.53
    Polar Surface Area: 76 Å2
    Polarizability: 40.6±0.5 10-24cm3
    Surface Tension: 68.7±5.0 dyne/cm
    Molar Volume: 263.5±5.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  554.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  238.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.4E-013  (Modified Grain method)
    Subcooled liquid VP: 1.08E-010 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  180.1
       log Kow used: 2.81 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  46.566 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines
       Phenols
       Vinyl/Allyl Ketones

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.37E-019  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.473E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.81  (KowWin est)
  Log Kaw used:  -17.252  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  20.062
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0397
   Biowin2 (Non-Linear Model)     :   0.8381
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2769  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3561  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2368
   Biowin6 (MITI Non-Linear Model):   0.0381
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7007
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.44E-008 Pa (1.08E-010 mm Hg)
  Log Koa (Koawin est  ): 20.062
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  208 
       Octanol/air (Koa) model:  2.83E+007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 189.3569 E-12 cm3/molecule-sec
      Half-Life =     0.056 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.678 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    27.299999 E-17 cm3/molecule-sec
      Half-Life =     0.042 Days (at 7E11 mol/cm3)
      Half-Life =      1.007 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.774E+004
      Log Koc:  4.249 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.626 (BCF = 4.225)
       log Kow used: 2.81 (estimated)

 Volatilization from Water:
    Henry LC:  1.37E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.258E+015  hours   (3.441E+014 days)
    Half-Life from Model Lake : 9.009E+016  hours   (3.754E+015 days)

 Removal In Wastewater Treatment:
    Total removal:               4.36  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.25  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.39e-008       0.578        1000       
   Water     13.7            900          1000       
   Soil      86.1            1.8e+003     1000       
   Sediment  0.207           8.1e+003     0          
     Persistence Time: 1.74e+003 hr

    Click to predict properties on the Chemicalize site


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