ChemSpider 2D Image | 3,5-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one | C19H20O8

3,5-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC19H20O8
  • Average mass376.357 Da
  • Monoisotopic mass376.115814 Da
  • ChemSpider ID57641907

More details:






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

3,5-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
3,5-Dihydroxy-3-(3-hydroxy-4-méthoxybenzyl)-7,8-diméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7,8-dimethoxy- [ACD/Index Name]
1000888-67-4 [RN]
3,5-dihydroxy-7,8-dimethoxy-3-(3'-hydroxy-4'-methoxybenzyl)-4-chromanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 233.9±25.0 °C
Index of Refraction: 1.629
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.81
ACD/KOC (pH 5.5): 404.25
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 22.24
ACD/KOC (pH 7.4): 291.80
Polar Surface Area: 115 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 266.4±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement