ChemSpider 2D Image | 3-Hydroxy-4-(3-isobutoxybenzoyl)-1-(4-isopropylphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C34H39NO4

3-Hydroxy-4-(3-isobutoxybenzoyl)-1-(4-isopropylphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC34H39NO4
  • Average mass525.678 Da
  • Monoisotopic mass525.287903 Da
  • ChemSpider ID34825349

More details:

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

2H-Pyrrol-2-one, 5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy-1-[4-(1-methylethyl)phenyl]-4-[3-(2-methylpropoxy)benzoyl]- [ACD/Index Name]
3-Hydroxy-4-(3-isobutoxybenzoyl)-1-(4-isopropylphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-4-(3-isobutoxybenzoyl)-1-(4-isopropylphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-4-(3-isobutoxybenzoyl)-1-(4-isopropylphényl)-5-[4-(2-méthyl-2-propanyl)phényl]-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: 642.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.2±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 155.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.92
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 12293.33
ACD/KOC (pH 5.5): 14906.96
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 212.07
ACD/KOC (pH 7.4): 257.15
Polar Surface Area: 67 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 458.6±3.0 cm3

Click to predict properties on the Chemicalize site


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