ChemSpider 2D Image | (3S)-3-(2-Hydroxy-3,4-dimethoxyphenyl)-7-chromanol | C17H18O5

(3S)-3-(2-Hydroxy-3,4-dimethoxyphenyl)-7-chromanol

  • Molecular FormulaC17H18O5
  • Average mass302.322 Da
  • Monoisotopic mass302.115417 Da
  • ChemSpider ID82965874

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(2-Hydroxy-3,4-dimethoxyphenyl)-7-chromanol [German] [ACD/IUPAC Name]
(3S)-3-(2-Hydroxy-3,4-dimethoxyphenyl)-7-chromanol [ACD/IUPAC Name]
(3S)-3-(2-Hydroxy-3,4-diméthoxyphényl)-7-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-3,4-dimethoxyphenyl)-, (3S)- [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: 426.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 211.9±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.46
ACD/KOC (pH 5.5): 731.73
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.70
ACD/KOC (pH 7.4): 723.88
Polar Surface Area: 68 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 236.4±3.0 cm3

Click to predict properties on the Chemicalize site


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