ChemSpider 2D Image | 5-(2-Chlorophenyl)-1-(2,2-dimethoxyethyl)-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C22H22ClNO6

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

  • Molecular FormulaC22H22ClNO6
  • Average mass431.866 Da
  • Monoisotopic mass431.113556 Da
  • ChemSpider ID28636255

More details:






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

2H-Pyrrol-2-one, 5-(2-chlorophenyl)-1-(2,2-dimethoxyethyl)-1,5-dihydro-3-hydroxy-4-(4-methoxybenzoyl)- [ACD/Index Name]
5-(2-Chlorophenyl)-1-(2,2-dimethoxyethyl)-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(2-Chlorophényl)-1-(2,2-diméthoxyéthyl)-3-hydroxy-4-(4-méthoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-(2-Chlorphenyl)-1-(2,2-dimethoxyethyl)-3-hydroxy-4-(4-methoxybenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(2-Chloro-phenyl)-1-(2,2-dimethoxy-ethyl)-3-hydroxy-4-(4-methoxy-benzoyl)-1,5-dihydro-pyrrol-2-one
5-(2-chlorophenyl)-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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 319.8±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 10.60
ACD/KOC (pH 5.5): 95.47
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 85 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 323.4±3.0 cm3

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