ChemSpider 2D Image | 4-(4-Butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C31H42N2O7

4-(4-Butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H42N2O7
  • Average mass554.674 Da
  • Monoisotopic mass554.299194 Da
  • ChemSpider ID21673717

More details:

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

2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-(4-Butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(4-Butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(4-Butoxy-3-méthylbenzoyl)-1-[2-(diéthylamino)éthyl]-3-hydroxy-5-(3,4,5-triméthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-(4-butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.29
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.72
Polar Surface Area: 98 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 476.4±3.0 cm3

Click to predict properties on the Chemicalize site


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