ChemSpider 2D Image | 4-[4-Ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(4-isopropylphenyl)-1-pentyl-1,5-dihydro-2H-pyrrol-2-one | C31H41NO4

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

  • Molecular FormulaC31H41NO4
  • Average mass491.661 Da
  • Monoisotopic mass491.303558 Da
  • ChemSpider ID34897725

More details:

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

2H-Pyrrol-2-one, 4-[3-(1,1-dimethylethyl)-4-ethoxybenzoyl]-1,5-dihydro-3-hydroxy-5-[4-(1-methylethyl)phenyl]-1-pentyl- [ACD/Index Name]
4-[4-Ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(4-isopropylphenyl)-1-pentyl-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-[4-Ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-5-(4-isopropylphenyl)-1-pentyl-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-[4-Éthoxy-3-(2-méthyl-2-propanyl)benzoyl]-3-hydroxy-5-(4-isopropylphényl)-1-pentyl-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 648.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.0±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 14093.20
ACD/KOC (pH 5.5): 16438.56
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 243.11
ACD/KOC (pH 7.4): 283.57
Polar Surface Area: 67 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 448.1±3.0 cm3

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