ChemSpider 2D Image | 5-(4-Chlorophenyl)-3-hydroxy-4-[2-methyl-5-(2-methyl-2-propanyl)benzoyl]-1-pentyl-1,5-dihydro-2H-pyrrol-2-one | C27H32ClNO3

5-(4-Chlorophenyl)-3-hydroxy-4-[2-methyl-5-(2-methyl-2-propanyl)benzoyl]-1-pentyl-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC27H32ClNO3
  • Average mass454.001 Da
  • Monoisotopic mass453.207062 Da
  • ChemSpider ID34887998

More details:

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

2H-Pyrrol-2-one, 5-(4-chlorophenyl)-4-[5-(1,1-dimethylethyl)-2-methylbenzoyl]-1,5-dihydro-3-hydroxy-1-pentyl- [ACD/Index Name]
5-(4-Chlorophenyl)-3-hydroxy-4-[2-methyl-5-(2-methyl-2-propanyl)benzoyl]-1-pentyl-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Chlorophényl)-3-hydroxy-4-[2-méthyl-5-(2-méthyl-2-propanyl)benzoyl]-1-pentyl-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-3-hydroxy-4-[2-methyl-5-(2-methyl-2-propanyl)benzoyl]-1-pentyl-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.2±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 6193.68
ACD/KOC (pH 5.5): 9126.07
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 106.84
ACD/KOC (pH 7.4): 157.43
Polar Surface Area: 58 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

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