ChemSpider 2D Image | (3R)-5,7-Dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2-chromanone | C16H14O6

(3R)-5,7-Dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2-chromanone

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID29370339

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-5,7-Dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2-chromanon [German] [ACD/IUPAC Name]
(3R)-5,7-Dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2-chromanone [ACD/IUPAC Name]
(3R)-5,7-Dihydroxy-3-(4-hydroxy-2-méthoxyphényl)-2-chromanone [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 3,4-dihydro-5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-, (3R)- [ACD/Index Name]
(3R)-5,7,4′-trihydroxy-2′-methoxyisoflavanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 217.5±23.6 °C
Index of Refraction: 1.665
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.09
ACD/KOC (pH 5.5): 369.07
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.01
ACD/KOC (pH 7.4): 340.72
Polar Surface Area: 96 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement