ChemSpider 2D Image | 4-(4-Chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-hydroxypropyl)-1,5-dihydro-2H-pyrrol-2-one | C22H22ClNO6

4-(4-Chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-hydroxypropyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC22H22ClNO6
  • Average mass431.866 Da
  • Monoisotopic mass431.113556 Da
  • ChemSpider ID21510754

More details:

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

2H-Pyrrol-2-one, 4-(4-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-1,5-dihydro-3-hydroxy-1-(3-hydroxypropyl)- [ACD/Index Name]
4-(4-Chlorbenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-hydroxypropyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(4-Chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-hydroxypropyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(4-Chlorobenzoyl)-5-(3,4-diméthoxyphényl)-3-hydroxy-1-(3-hydroxypropyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
3-(4-CHLOROBENZOYL)-2-(3,4-DIMETHOXYPHENYL)-4-HYDROXY-1-(3-HYDROXYPROPYL)-2H-PYRROL-5-ONE
4-(4-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-hydroxypropyl)-1H-pyrrol-2(5H)-one
4-[(4-chlorophenyl)carbonyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-hydroxypropyl)-1,5-dihydro-2H-pyrrol-2-one
425414-68-2 [RN]
c22h22clno6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 655.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.1±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 27.82
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

Click to predict properties on the Chemicalize site


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