ChemSpider 2D Image | 4-(3-Chloro-4,5-diethoxyphenyl)-1-[4-(dimethylamino)phenyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C29H31ClN2O6

4-(3-Chloro-4,5-diethoxyphenyl)-1-[4-(dimethylamino)phenyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H31ClN2O6
  • Average mass539.019 Da
  • Monoisotopic mass538.187073 Da
  • ChemSpider ID60217504

More details:

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

2H-Pyrrol-2-one, 4-(3-chloro-4,5-diethoxyphenyl)-1-[4-(dimethylamino)phenyl]-1,5-dihydro-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
4-(3-Chlor-4,5-diethoxyphenyl)-1-[4-(dimethylamino)phenyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(3-Chloro-4,5-diethoxyphenyl)-1-[4-(dimethylamino)phenyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(3-Chloro-4,5-diéthoxyphényl)-1-[4-(diméthylamino)phényl]-3-hydroxy-5-(4-hydroxy-3-méthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.0±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1011.56
ACD/KOC (pH 5.5): 4065.71
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1896.61
ACD/KOC (pH 7.4): 7622.95
Polar Surface Area: 92 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 408.5±3.0 cm3

Click to predict properties on the Chemicalize site


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