ChemSpider 2D Image | 5-Hydroxy-3-(4-hydroxybenzyl)-7-methoxy-4H-chromen-4-one | C17H14O5

5-Hydroxy-3-(4-hydroxybenzyl)-7-methoxy-4H-chromen-4-one

  • Molecular FormulaC17H14O5
  • Average mass298.290 Da
  • Monoisotopic mass298.084137 Da
  • ChemSpider ID57641928

More details:






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

4H-1-Benzopyran-4-one, 5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy- [ACD/Index Name]
5-Hydroxy-3-(4-hydroxybenzyl)-7-methoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxybenzyl)-7-methoxy-4H-chromen-4-one [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxybenzyl)-7-méthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
5-hydroxy-3-4-hydroxybenzyl)-7-methoxy-4-chromone
866408-73-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 209.5±23.6 °C
Index of Refraction: 1.663
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 224.57
ACD/KOC (pH 5.5): 1632.06
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 27.27
ACD/KOC (pH 7.4): 198.16
Polar Surface Area: 76 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 214.3±3.0 cm3

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