ChemSpider 2D Image | 1-[2-(1-Cyclohexen-1-yl)ethyl]-4-(2,4-difluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C27H27F2NO6

1-[2-(1-Cyclohexen-1-yl)ethyl]-4-(2,4-difluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC27H27F2NO6
  • Average mass499.503 Da
  • Monoisotopic mass499.180634 Da
  • ChemSpider ID117975180

More details:

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

1-[2-(1-Cyclohexen-1-yl)ethyl]-4-(2,4-difluorbenzoyl)-3-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[2-(1-Cyclohexen-1-yl)ethyl]-4-(2,4-difluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(1-Cyclohexén-1-yl)éthyl]-4-(2,4-difluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3,5-diméthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(1-cyclohexen-1-yl)ethyl]-4-(2,4-difluorobenzoyl)-1,5-dihydro-3-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.1±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 30.25
ACD/KOC (pH 5.5): 202.29
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.47
Polar Surface Area: 96 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 369.9±3.0 cm3

Click to predict properties on the Chemicalize site


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