ChemSpider 2D Image | 1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-4-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C26H23F2NO4

1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-4-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC26H23F2NO4
  • Average mass451.462 Da
  • Monoisotopic mass451.159515 Da
  • ChemSpider ID29036965

More details:

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

1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-4-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(3,4-Diméthoxyphényl)éthyl]-5-(2-fluorophényl)-4-(4-fluorophényl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-(2-fluorphenyl)-4-(4-fluorphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-4-(4-fluorophenyl)-1,5-dihydro-3-hydroxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 324.0±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 771.15
ACD/KOC (pH 5.5): 4056.98
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 765.56
ACD/KOC (pH 7.4): 4027.57
Polar Surface Area: 59 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 345.6±3.0 cm3

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