Found 9 results

Search term: C33H25F3O4 (Found by molecular formula)
ChemSpider 2D Image | 2-Hydroxy-3-[(1S,3R)-3-(4-{[4-(trifluoromethyl)benzyl]oxy}phenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4H-chromen-4-one | C33H25F3O4

2-Hydroxy-3-[(1S,3R)-3-(4-{[4-(trifluoromethyl)benzyl]oxy}phenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4H-chromen-4-one

  • Molecular FormulaC33H25F3O4
  • Average mass542.544 Da
  • Monoisotopic mass542.170471 Da
  • ChemSpider ID160264

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Hydroxy-3-[(1S,3R)-3-(4-{[4-(trifluormethyl)benzyl]oxy}phenyl)-1,2,3,4-tetrahydro-1-naphthalinyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-Hydroxy-3-[(1S,3R)-3-(4-{[4-(trifluorométhyl)benzyl]oxy}phényl)-1,2,3,4-tétrahydro-1-naphtalényl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
2-Hydroxy-3-[(1S,3R)-3-(4-{[4-(trifluoromethyl)benzyl]oxy}phenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4H-chromen-4-one [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-hydroxy-3-[(1S,3R)-1,2,3,4-tetrahydro-3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-naphthalenyl]- [ACD/Index Name]
104563-61-3 [RN]
2-hydroxy-3-[(1s,3r)-3-(4-{[4-(trifluoromethyl)benzyl]oxy}phenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4h-chromen-4-one
DIETHYL(2-CYANOETHYL)(METHYL)PROPANEDIOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 341.0±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 38813.91
ACD/KOC (pH 5.5): 33946.54
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 669.55
ACD/KOC (pH 7.4): 585.59
Polar Surface Area: 56 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 402.4±3.0 cm3

Click to predict properties on the Chemicalize site


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