ChemSpider 2D Image | (2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3-chromanol | C18H20O6

(2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3-chromanol

  • Molecular FormulaC18H20O6
  • Average mass332.348 Da
  • Monoisotopic mass332.125977 Da
  • ChemSpider ID32788470

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3-chromanol [German] [ACD/IUPAC Name]
(2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-5,7-dimethoxy-3-chromanol [ACD/IUPAC Name]
(2S,3R)-2-(4-Hydroxy-3-méthoxyphényl)-5,7-diméthoxy-3-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-ol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5,7-dimethoxy-, (2S,3R)- [ACD/Index 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: 541.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 281.0±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.35
ACD/KOC (pH 5.5): 361.92
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.24
ACD/KOC (pH 7.4): 360.44
Polar Surface Area: 77 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 258.9±3.0 cm3

Click to predict properties on the Chemicalize site


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