ChemSpider 2D Image | 2',3,4,4',6'-Pentahydroxychalcone | C15H12O6

2',3,4,4',6'-Pentahydroxychalcone

  • Molecular FormulaC15H12O6
  • Average mass288.252 Da
  • Monoisotopic mass288.063385 Da
  • ChemSpider ID21864766

More details:

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

(2E)-3-(3,4-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxyphényl)-1-(2,4,6-trihydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(E)-3-(3,4-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one [ACD/IUPAC Name]
2',3,4,4',6'-Pentahydroxychalcone [ACD/IUPAC Name]
2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, (2E)- [ACD/Index Name]
73692-51-0 [RN]
(2E)-3-(3,4-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one [ACD/IUPAC Name]
14917-41-0 [RN]
3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
More...

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

  • Miscellaneous

    • Chemical Class:

      A member of the class of chalcones that is chalcone substituted by hydroxy groups at positions 2', 3, 4, 4', and 6'. ChEBI CHEBI:10836

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

Density: 1.6±0.1 g/cm3
Boiling Point: 595.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 328.2±26.6 °C
Index of Refraction: 1.782
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 38.52
ACD/KOC (pH 5.5): 468.11
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 6.88
ACD/KOC (pH 7.4): 83.67
Polar Surface Area: 118 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 93.6±3.0 dyne/cm
Molar Volume: 182.0±3.0 cm3

Click to predict properties on the Chemicalize site


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