ChemSpider 2D Image | 3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenolate | C15H11O5


  • Molecular FormulaC15H11O5
  • Average mass271.245 Da
  • Monoisotopic mass271.061188 Da
  • ChemSpider ID31150350
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-Propen-1-one, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, ion(1-), (2E)- [ACD/Index Name]
3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenolat [German] [ACD/IUPAC Name]
3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenolate [ACD/IUPAC Name]
3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]phénolate [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      A phenolate anion that is the conjugate base of 2',4,4',6'-tetrahydroxychalcone, obtained by deprotonation of the phenolic hydroxy group at position 2'; major species at pH 7.3. ChEBI CHEBI:77645

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

Boiling Point: 538.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 293.6±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.51
ACD/KOC (pH 5.5): 1054.68
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 24.30
ACD/KOC (pH 7.4): 214.43
Polar Surface Area: 101 Å2
Surface Tension:
Molar Volume:

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