ChemSpider 2D Image | (2R)-5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one | C16H14O6

(2R)-5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID103748978

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R)-5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R)-5,7-Dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, (2R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 583.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 222.1±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: 2.90
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.03
ACD/KOC (pH 5.5): 656.67
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 23.87
ACD/KOC (pH 7.4): 256.85
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


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