ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-4-isobutyl-1H-pyrrole-2,5-dione | C14H15NO3

3-(4-Hydroxyphenyl)-4-isobutyl-1H-pyrrole-2,5-dione

  • Molecular FormulaC14H15NO3
  • Average mass245.274 Da
  • Monoisotopic mass245.105194 Da
  • ChemSpider ID78435742

More details:

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

1H-Pyrrole-2,5-dione, 3-(4-hydroxyphenyl)-4-(2-methylpropyl)- [ACD/Index Name]
3-(4-Hydroxyphenyl)-4-isobutyl-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-isobutyl-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(4-Hydroxyphényl)-4-isobutyl-1H-pyrrole-2,5-dione [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: 444.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 222.3±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.55
ACD/KOC (pH 5.5): 686.88
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 55.63
ACD/KOC (pH 7.4): 591.97
Polar Surface Area: 66 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 200.6±3.0 cm3

Click to predict properties on the Chemicalize site


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