ChemSpider 2D Image | 1-[2-(4-Fluorophenyl)ethyl]-3-hydroxy-5-(3-isopropoxyphenyl)-4-(3-methylbutanoyl)-1,5-dihydro-2H-pyrrol-2-one | C26H30FNO4

1-[2-(4-Fluorophenyl)ethyl]-3-hydroxy-5-(3-isopropoxyphenyl)-4-(3-methylbutanoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC26H30FNO4
  • Average mass439.519 Da
  • Monoisotopic mass439.215881 Da
  • ChemSpider ID34830611

More details:

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

1-[2-(4-Fluorophenyl)ethyl]-3-hydroxy-5-(3-isopropoxyphenyl)-4-(3-methylbutanoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(4-Fluorophényl)éthyl]-3-hydroxy-5-(3-isopropoxyphényl)-4-(3-méthylbutanoyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-[2-(4-Fluorphenyl)ethyl]-3-hydroxy-5-(3-isopropoxyphenyl)-4-(3-methylbutanoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(4-fluorophenyl)ethyl]-1,5-dihydro-3-hydroxy-5-[3-(1-methylethoxy)phenyl]-4-(3-methyl-1-oxobutyl)- [ACD/Index 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: 624.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.3±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 73.07
ACD/KOC (pH 5.5): 380.25
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 6.56
Polar Surface Area: 67 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 367.7±3.0 cm3

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