ChemSpider 2D Image | (2E)-3-(2,5-Dihydroxy-4-methoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one | C17H16O6

(2E)-3-(2,5-Dihydroxy-4-methoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC17H16O6
  • Average mass316.305 Da
  • Monoisotopic mass316.094696 Da
  • ChemSpider ID26612125
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-(2,5-Dihydroxy-4-methoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(2,5-Dihydroxy-4-methoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(2,5-Dihydroxy-4-méthoxyphényl)-1-(3-hydroxy-4-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(2,5-dihydroxy-4-methoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 228.7±25.0 °C
Index of Refraction: 1.661
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.92
ACD/KOC (pH 5.5): 460.71
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.66
ACD/KOC (pH 7.4): 444.96
Polar Surface Area: 96 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 233.1±3.0 cm3

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