ChemSpider 2D Image | 3-(3,4-Dimethoxybenzyl)-3,5-dihydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-one | C19H20O7

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

  • Molecular FormulaC19H20O7
  • Average mass360.358 Da
  • Monoisotopic mass360.120911 Da
  • ChemSpider ID57641906

More details:

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

3-(3,4-Dimethoxybenzyl)-3,5-dihydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-(3,4-Dimethoxybenzyl)-3,5-dihydroxy-7-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
3-(3,4-Diméthoxybenzyl)-3,5-dihydroxy-7-méthoxy-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-methoxy- [ACD/Index Name]
1000888-66-3 [RN]
3,5-dihydroxy-7-methoxy-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: 589.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 212.9±23.6 °C
Index of Refraction: 1.609
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.78
ACD/KOC (pH 5.5): 1000.51
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 48.65
ACD/KOC (pH 7.4): 443.40
Polar Surface Area: 94 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 268.0±3.0 cm3

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