ChemSpider 2D Image | 4-[3-(4-Hydroxy-2-methoxyphenyl)-3-oxopropanoyl]phenolate | C16H13O5

4-[3-(4-Hydroxy-2-methoxyphenyl)-3-oxopropanoyl]phenolate

  • Molecular FormulaC16H13O5
  • Average mass285.272 Da
  • Monoisotopic mass285.076843 Da
  • ChemSpider ID31150348

  • Charge - Charge

More details:

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

1,3-Propanedione, 1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
4-[3-(4-Hydroxy-2-methoxyphenyl)-3-oxopropanoyl]phenolat [German] [ACD/IUPAC Name]
4-[3-(4-Hydroxy-2-methoxyphenyl)-3-oxopropanoyl]phenolate [ACD/IUPAC Name]
4-[3-(4-Hydroxy-2-méthoxyphényl)-3-oxopropanoyl]phénolate [French] [ACD/IUPAC Name]
2'-O-methyllicodione
2'-O-methyllicodione(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion that is the conjugate base of 2'-O-methyllicodione, obtained by deprotonation of the phenolic hydroxy group at position 4; major species at pH 7.3. ChEBI CHEBI:77642

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

Density:
Boiling Point: 545.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 206.7±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.19
ACD/KOC (pH 5.5): 992.85
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 69.50
ACD/KOC (pH 7.4): 637.84
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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