ChemSpider 2D Image | 3,5-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one | C18H18O7

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

  • Molecular FormulaC18H18O7
  • Average mass346.331 Da
  • Monoisotopic mass346.105255 Da
  • ChemSpider ID57641885

More details:

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

3,5-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-3-(4-hydroxy-3-methoxybenzyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
3,5-Dihydroxy-3-(4-hydroxy-3-méthoxybenzyl)-7-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy- [ACD/Index Name]
3,5-dihydroxy-7-methoxy-3-(4'-hydroxy-3'-methoxybenzyl)chroman-4-one
849727-93-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 229.2±25.0 °C
Index of Refraction: 1.646
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.93
ACD/KOC (pH 5.5): 648.71
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 26.55
ACD/KOC (pH 7.4): 287.42
Polar Surface Area: 105 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 242.4±3.0 cm3

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