ChemSpider 2D Image | 2-[(3R)-7-Hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-methoxy-1,4-benzoquinone | C17H16O6

2-[(3R)-7-Hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-methoxy-1,4-benzoquinone

  • Molecular FormulaC17H16O6
  • Average mass316.305 Da
  • Monoisotopic mass316.094696 Da
  • ChemSpider ID24843087

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[(3R)-3,4-dihydro-7-hydroxy-8-methoxy-2H-1-benzopyran-3-yl]-5-methoxy- [ACD/Index Name]
2-[(3R)-7-Hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-methoxy-1,4-benzochinon [German] [ACD/IUPAC Name]
2-[(3R)-7-Hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-methoxy-1,4-benzoquinone [ACD/IUPAC Name]
2-[(3R)-7-Hydroxy-8-méthoxy-3,4-dihydro-2H-chromén-3-yl]-5-méthoxy-1,4-benzoquinone [French] [ACD/IUPAC Name]
7-Hydroxy-8,4'-dimethoxyisoflavanquinone
Mucroquinone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 187.6±23.6 °C
Index of Refraction: 1.617
Molar Refractivity: 79.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.29
ACD/KOC (pH 5.5): 245.11
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.24
ACD/KOC (pH 7.4): 244.31
Polar Surface Area: 82 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 228.3±5.0 cm3

Click to predict properties on the Chemicalize site


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