ChemSpider 2D Image | 1-Hydroxy-3-(4-hydroxyphenyl)-4-isobutyl-1H-pyrrole-2,5-dione | C14H15NO4

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

  • Molecular FormulaC14H15NO4
  • Average mass261.273 Da
  • Monoisotopic mass261.100098 Da
  • ChemSpider ID23329992

More details:

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

1H-Pyrrole-2,5-dione, 1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)- [ACD/Index Name]
1-Hydroxy-3-(4-hydroxyphenyl)-4-isobutyl-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1-Hydroxy-3-(4-hydroxyphenyl)-4-isobutyl-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1-Hydroxy-3-(4-hydroxyphényl)-4-isobutyl-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1-hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)-1H-pyrrole-2,5-dione
Antrocinnamomin B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507751/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 463.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 234.3±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.44
ACD/KOC (pH 5.5): 203.75
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 19.00
Polar Surface Area: 78 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 192.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement