ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(octadecyloxy)-4H-chromen-4-one | C34H48O7

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(octadecyloxy)-4H-chromen-4-one

  • Molecular FormulaC34H48O7
  • Average mass568.741 Da
  • Monoisotopic mass568.340027 Da
  • ChemSpider ID23163959

More details:

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

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(octadecyloxy)-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(octadecyloxy)-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-5-hydroxy-7-méthoxy-6-(octadécyloxy)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(octadecyloxy)- [ACD/Index Name]
2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-6-octadecyloxy-chromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL424603/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 725.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 224.1±26.4 °C
Index of Refraction: 1.557
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 11.30
ACD/LogD (pH 5.5): 10.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5548583.50
ACD/LogD (pH 7.4): 8.60
ACD/BCF (pH 7.4): 863037.06
ACD/KOC (pH 7.4): 222677.72
Polar Surface Area: 105 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 503.2±3.0 cm3

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