ChemSpider 2D Image | (3R)-7-Hydroxy-3-(2-hydroxy-4-methoxybenzyl)-5,8-dimethoxy-6-methyl-2,3-dihydro-4H-chromen-4-one | C20H22O7

(3R)-7-Hydroxy-3-(2-hydroxy-4-methoxybenzyl)-5,8-dimethoxy-6-methyl-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC20H22O7
  • Average mass374.384 Da
  • Monoisotopic mass374.136566 Da
  • ChemSpider ID129177035

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-7-Hydroxy-3-(2-hydroxy-4-methoxybenzyl)-5,8-dimethoxy-6-methyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-7-Hydroxy-3-(2-hydroxy-4-methoxybenzyl)-5,8-dimethoxy-6-methyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-7-Hydroxy-3-(2-hydroxy-4-méthoxybenzyl)-5,8-diméthoxy-6-méthyl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-5,8-dimethoxy-6-methyl-, (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: 614.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 219.3±25.0 °C
Index of Refraction: 1.598
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 306.56
ACD/KOC (pH 5.5): 2092.71
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 208.34
ACD/KOC (pH 7.4): 1422.21
Polar Surface Area: 94 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

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