ChemSpider 2D Image | 5,7-Dihydroxy-3-(4-hydroxy-3,5-dimethoxybenzyl)-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one | C20H22O7

5,7-Dihydroxy-3-(4-hydroxy-3,5-dimethoxybenzyl)-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC20H22O7
  • Average mass374.384 Da
  • Monoisotopic mass374.136566 Da
  • ChemSpider ID33823880

More details:

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

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6,8-dimethyl- [ACD/Index Name]
5,7-Dihydroxy-3-(4-hydroxy-3,5-dimethoxybenzyl)-6,8-dimethyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-3-(4-hydroxy-3,5-dimethoxybenzyl)-6,8-dimethyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-3-(4-hydroxy-3,5-diméthoxybenzyl)-6,8-diméthyl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
212201-12-2 [RN]
5,7-Dihydroxy-3-(4-hydroxy-3,5-dimethoxybenzyl)-6,8-dimethylchroman-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 620.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 221.7±25.0 °C
Index of Refraction: 1.623
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 410.37
ACD/KOC (pH 5.5): 2580.26
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 317.66
ACD/KOC (pH 7.4): 1997.31
Polar Surface Area: 105 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

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