ChemSpider 2D Image | 5-(4-Butoxy-3-ethoxyphenyl)-1-(4-butylphenyl)-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one | C30H35NO4S

5-(4-Butoxy-3-ethoxyphenyl)-1-(4-butylphenyl)-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID59927253

More details:

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

2H-Pyrrol-2-one, 5-(4-butoxy-3-ethoxyphenyl)-1-(4-butylphenyl)-1,5-dihydro-3-hydroxy-4-(2-thienyl)- [ACD/Index Name]
5-(4-Butoxy-3-ethoxyphenyl)-1-(4-butylphenyl)-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(4-Butoxy-3-ethoxyphenyl)-1-(4-butylphenyl)-3-hydroxy-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Butoxy-3-éthoxyphényl)-1-(4-butylphényl)-3-hydroxy-4-(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: 1.2±0.1 g/cm3
Boiling Point: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.57
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82676.80
ACD/KOC (pH 5.5): 115193.02
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 81786.85
ACD/KOC (pH 7.4): 113953.05
Polar Surface Area: 87 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 424.4±3.0 cm3

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