ChemSpider 2D Image | 4-(4-Fluoro-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C26H30FNO4

4-(4-Fluoro-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC26H30FNO4
  • Average mass439.519 Da
  • Monoisotopic mass439.215881 Da
  • ChemSpider ID34578393

More details:

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

2H-Pyrrol-2-one, 5-[4-(1,1-dimethylethyl)phenyl]-4-(4-fluoro-3-methylbenzoyl)-1,5-dihydro-3-hydroxy-1-(3-methoxypropyl)- [ACD/Index Name]
4-(4-Fluor-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(4-Fluoro-3-methylbenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(4-Fluoro-3-méthylbenzoyl)-3-hydroxy-1-(3-méthoxypropyl)-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: 1.2±0.1 g/cm3
Boiling Point: 609.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 121.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 62.61
ACD/KOC (pH 5.5): 340.46
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 5.87
Polar Surface Area: 67 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 367.9±3.0 cm3

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