ChemSpider 2D Image | 3,4-Dihydro-2(1H)-isoquinolinyl(2,4-dihydroxy-5-isopropylphenyl)methanone | C19H21NO3

3,4-Dihydro-2(1H)-isoquinolinyl(2,4-dihydroxy-5-isopropylphenyl)methanone

  • Molecular FormulaC19H21NO3
  • Average mass311.375 Da
  • Monoisotopic mass311.152130 Da
  • ChemSpider ID35034347

More details:

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

3,4-Dihydro-2(1H)-isochinolinyl(2,4-dihydroxy-5-isopropylphenyl)methanon [German] [ACD/IUPAC Name]
3,4-Dihydro-2(1H)-isoquinoléinyl(2,4-dihydroxy-5-isopropylphényl)méthanone [French] [ACD/IUPAC Name]
3,4-Dihydro-2(1H)-isoquinolinyl(2,4-dihydroxy-5-isopropylphenyl)methanone [ACD/IUPAC Name]
3,4-Dihydroisoquinolin-2(1h)-Yl[2,4-Dihydroxy-5-(Propan-2-Yl)phenyl]methanone
Methanone, (3,4-dihydro-2(1H)-isoquinolinyl)[2,4-dihydroxy-5-(1-methylethyl)phenyl]- [ACD/Index Name]

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

S36 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 532.5±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 275.8±29.8 °C
Index of Refraction: 1.632
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 550.38
ACD/KOC (pH 5.5): 3184.40
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 451.46
ACD/KOC (pH 7.4): 2612.07
Polar Surface Area: 61 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 251.3±3.0 cm3

Click to predict properties on the Chemicalize site


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