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

3-Hydroxy-1-(4-isopropyl-3-methylphenyl)-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 ID59961273

More details:






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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1-[3-methyl-4-(1-methylethyl)phenyl]-4-(2-thienyl)- [ACD/Index Name]
3-Hydroxy-1-(4-isopropyl-3-methylphenyl)-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-1-(4-isopropyl-3-methylphenyl)-5-[3-methoxy-4-(pentyloxy)phenyl]-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-1-(4-isopropyl-3-méthylphényl)-5-[3-méthoxy-4-(pentyloxy)phényl]-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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.2±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.32
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 65927.13
ACD/KOC (pH 5.5): 97957.43
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 64719.21
ACD/KOC (pH 7.4): 96162.66
Polar Surface Area: 87 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 425.0±3.0 cm3

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