ChemSpider 2D Image | 4-[4-(Benzyloxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one | C28H23NO3S

4-[4-(Benzyloxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H23NO3S
  • Average mass453.552 Da
  • Monoisotopic mass453.139862 Da
  • ChemSpider ID60302297

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-1-(2-methylphenyl)-4-[4-(phenylmethoxy)phenyl]-5-(2-thienyl)- [ACD/Index Name]
4-[4-(Benzyloxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-[4-(Benzyloxy)phenyl]-3-hydroxy-1-(2-methylphenyl)-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-[4-(Benzyloxy)phényl]-3-hydroxy-1-(2-méthylphényl)-5-(2-thiényl)-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: 1.3±0.1 g/cm3
Boiling Point: 619.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.5±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8205.71
ACD/KOC (pH 5.5): 22043.75
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8053.58
ACD/KOC (pH 7.4): 21635.07
Polar Surface Area: 78 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 345.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement