ChemSpider 2D Image | 2-Hydroxy-5-(4-hydroxy-2-methoxy-3,6-dimethylbenzyl)-3,6-dimethyl-1,4-benzoquinone | C18H20O5

2-Hydroxy-5-(4-hydroxy-2-methoxy-3,6-dimethylbenzyl)-3,6-dimethyl-1,4-benzoquinone

  • Molecular FormulaC18H20O5
  • Average mass316.348 Da
  • Monoisotopic mass316.131073 Da
  • ChemSpider ID40256613

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-[(4-hydroxy-2-methoxy-3,6-dimethylphenyl)methyl]-3,6-dimethyl- [ACD/Index Name]
2-Hydroxy-5-(4-hydroxy-2-methoxy-3,6-dimethylbenzyl)-3,6-dimethyl-1,4-benzochinon [German] [ACD/IUPAC Name]
2-Hydroxy-5-(4-hydroxy-2-methoxy-3,6-dimethylbenzyl)-3,6-dimethyl-1,4-benzoquinone [ACD/IUPAC Name]
2-Hydroxy-5-(4-hydroxy-2-méthoxy-3,6-diméthylbenzyl)-3,6-diméthyl-1,4-benzoquinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 499.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 179.8±22.2 °C
Index of Refraction: 1.605
Molar Refractivity: 85.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.77
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

Click to predict properties on the Chemicalize site


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