ChemSpider 2D Image | (2S)-5-Hydroxy-6-(2-hydroxybenzyl)-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one | C23H20O6

(2S)-5-Hydroxy-6-(2-hydroxybenzyl)-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC23H20O6
  • Average mass392.401 Da
  • Monoisotopic mass392.125977 Da
  • ChemSpider ID26336896

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Hydroxy-6-(2-hydroxybenzyl)-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-5-Hydroxy-6-(2-hydroxybenzyl)-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-5-Hydroxy-6-(2-hydroxybenzyl)-2-(4-hydroxyphényl)-7-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-6-[(2-hydroxyphenyl)methyl]-7-methoxy-, (2S)- [ACD/Index Name]
Epi-methylphelligrin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 675.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 240.1±25.0 °C
Index of Refraction: 1.663
Molar Refractivity: 106.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 950.86
ACD/KOC (pH 5.5): 4694.56
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 451.43
ACD/KOC (pH 7.4): 2228.77
Polar Surface Area: 96 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 286.7±3.0 cm3

Click to predict properties on the Chemicalize site


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