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

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

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID60092701

More details:

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

1-[4-(Hexyloxy)phenyl]-3-hydroxy-5-(3-isobutoxyphenyl)-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[4-(Hexyloxy)phenyl]-3-hydroxy-5-(3-isobutoxyphenyl)-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[4-(Hexyloxy)phényl]-3-hydroxy-5-(3-isobutoxyphényl)-4-(2-thiényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[4-(hexyloxy)phenyl]-1,5-dihydro-3-hydroxy-5-[3-(2-methylpropoxy)phenyl]-4-(2-thienyl)- [ACD/Index 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: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.56
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 164252.97
ACD/KOC (pH 5.5): 188280.17
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 160533.77
ACD/KOC (pH 7.4): 184016.92
Polar Surface Area: 87 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 425.0±3.0 cm3

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