ChemSpider 2D Image | 3-(2,4-Dihydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-5-olate | C21H19O6

3-(2,4-Dihydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-5-olate

  • Molecular FormulaC21H19O6
  • Average mass367.372 Da
  • Monoisotopic mass367.118713 Da
  • ChemSpider ID31150393

  • Charge - Charge

More details:

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

3-(2,4-Dihydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-5-olat [German] [ACD/IUPAC Name]
3-(2,4-Dihydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-5-olate [ACD/IUPAC Name]
3-(2,4-Dihydroxyphényl)-7-méthoxy-6-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-5-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-2-buten-1-yl)-, ion(1-) [ACD/Index Name]
3-(2,4-dihydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-5-olate
7-O-Methylluteone [Wiki]
7-O-methylluteone(1-)
  • Miscellaneous

    • Chemical Class:

      A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 7-O-methylluteone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77801

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

Density:
Boiling Point: 621.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 222.2±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2034.94
ACD/KOC (pH 5.5): 7994.25
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 369.35
ACD/KOC (pH 7.4): 1450.97
Polar Surface Area: 99 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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