ChemSpider 2D Image | 3-(3,4-Dimethoxybenzyl)-3,5-dihydroxy-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one | C20H22O8

3-(3,4-Dimethoxybenzyl)-3,5-dihydroxy-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC20H22O8
  • Average mass390.384 Da
  • Monoisotopic mass390.131470 Da
  • ChemSpider ID28284711

More details:

Featured data source
Natural Product Updates

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

3-(3,4-Dimethoxybenzyl)-3,5-dihydroxy-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-(3,4-Dimethoxybenzyl)-3,5-dihydroxy-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
3-(3,4-Diméthoxybenzyl)-3,5-dihydroxy-7,8-diméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-3,5-dihydroxy-7,8-dimethoxy- [ACD/Index Name]
1000888-65-2 [RN]
3,5-dihydroxy-7,8-dimethoxy-3-(3',4'-dimethoxybenzyl)-4-chromanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 219.0±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.27
ACD/KOC (pH 5.5): 1032.90
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 82.53
ACD/KOC (pH 7.4): 745.99
Polar Surface Area: 104 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 292.0±3.0 cm3

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