ChemSpider 2D Image | 5-(3-Bromophenyl)-1-(2,2-dimethoxyethyl)-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C22H22BrNO6

5-(3-Bromophenyl)-1-(2,2-dimethoxyethyl)-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC22H22BrNO6
  • Average mass476.317 Da
  • Monoisotopic mass475.063049 Da
  • ChemSpider ID28636251

More details:

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

2H-Pyrrol-2-one, 5-(3-bromophenyl)-1-(2,2-dimethoxyethyl)-1,5-dihydro-3-hydroxy-4-(4-methoxybenzoyl)- [ACD/Index Name]
5-(3-Bromophenyl)-1-(2,2-dimethoxyethyl)-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(3-Bromophényl)-1-(2,2-diméthoxyéthyl)-3-hydroxy-4-(4-méthoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-(3-Bromphenyl)-1-(2,2-dimethoxyethyl)-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(3-Bromo-phenyl)-1-(2,2-dimethoxy-ethyl)-3-hydroxy-4-(4-methoxy-benzoyl)-1,5-dihydro-pyrrol-2-one
5-(3-bromophenyl)-1-(2,2-dimethoxyethyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.5±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 12.16
ACD/KOC (pH 5.5): 105.36
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 85 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 327.6±3.0 cm3

Click to predict properties on the Chemicalize site


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