ChemSpider 2D Image | 1-[2-(Diethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1,5-dihydro-2H-pyrrol-2-one | C33H38N2O6

1-[2-(Diethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC33H38N2O6
  • Average mass558.665 Da
  • Monoisotopic mass558.273010 Da
  • ChemSpider ID21672997

More details:

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

1-[2-(Diethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[2-(Diethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(Diéthylamino)éthyl]-5-(3-éthoxy-4-hydroxyphényl)-3-hydroxy-4-{4-[(3-méthylbenzyl)oxy]benzoyl}-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-1,5-dihydro-3-hydroxy-4-[4-[(3-methylphenyl)methoxy]benzoyl]- [ACD/Index Name]
1-[2-(diethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-({4-[(3-methylbenzyl)oxy]phenyl}carbonyl)-1,5-dihydro-2H-pyrrol-2-one
1-[2-(diethylamino)ethyl]-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-4-{4-[(3-methylphenyl)methoxy]benzoyl}-2,5-dihydro-1H-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: 743.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.3±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 5.23
ACD/KOC (pH 5.5): 21.71
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 5.57
ACD/KOC (pH 7.4): 23.12
Polar Surface Area: 100 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 454.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement