ChemSpider 2D Image | 1-(4-Butylphenyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one | C30H35NO4S

1-(4-Butylphenyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID59927252

More details:






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

1-(4-Butylphenyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-(4-Butylphenyl)-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(4-Butylphényl)-3-hydroxy-5-[3-méthoxy-4-(pentyloxy)phényl]-4-(2-thiényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-(4-butylphenyl)-1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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): 7.14
ACD/BCF (pH 5.5): 156694.27
ACD/KOC (pH 5.5): 182045.13
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 155006.55
ACD/KOC (pH 7.4): 180084.36
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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