ChemSpider 2D Image | 3-Hydroxy-4-(4-methylphenyl)-5-(3-methyl-2-thienyl)-1-(4-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C28H23NO3S

3-Hydroxy-4-(4-methylphenyl)-5-(3-methyl-2-thienyl)-1-(4-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H23NO3S
  • Average mass453.552 Da
  • Monoisotopic mass453.139862 Da
  • ChemSpider ID60271733

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-4-(4-methylphenyl)-5-(3-methyl-2-thienyl)-1-(4-phenoxyphenyl)- [ACD/Index Name]
3-Hydroxy-4-(4-methylphenyl)-5-(3-methyl-2-thienyl)-1-(4-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-4-(4-methylphenyl)-5-(3-methyl-2-thienyl)-1-(4-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-4-(4-méthylphényl)-5-(3-méthyl-2-thiényl)-1-(4-phénoxyphényl)-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: 616.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.7±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 131.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11888.62
ACD/KOC (pH 5.5): 28743.46
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11673.58
ACD/KOC (pH 7.4): 28223.55
Polar Surface Area: 78 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 347.7±3.0 cm3

Click to predict properties on the Chemicalize site


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