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ChemSpider 2D Image | (2S)-7-hydroxy-5-methoxy-8-methylflavanone | C17H16O4

(2S)-7-hydroxy-5-methoxy-8-methylflavanone

  • Molecular FormulaC17H16O4
  • Average mass284.306 Da
  • Monoisotopic mass284.104858 Da
  • ChemSpider ID26361525
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-7-Hydroxy-5-methoxy-8-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-7-Hydroxy-5-methoxy-8-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-7-Hydroxy-5-méthoxy-8-méthyl-2-phényl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
(2S)-7-hydroxy-5-methoxy-8-methylflavanone
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-5-methoxy-8-methyl-2-phenyl-, (2S)- [ACD/Index Name]
(2S)-7-hydroxy-5-methoxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
  • Miscellaneous
    • Chemical Class:

      A monohydroxyflavanone that is (2<stereo>S</stereo>)-flavanone substituted by a hydroxy group at position 7, a methoxy group at position 5 and a methyl group at position 8. It has been isolated from the buds of <ital>Cleistocalyx operculatus</ital>. ChEBI CHEBI:70662
      A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 7, a methoxy group at position 5 and a methyl group at position 8. It has been isolated from ; the buds of Cle istocalyx operculatus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70662

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

Density: 1.3±0.1 g/cm3
Boiling Point: 505.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 189.6±23.6 °C
Index of Refraction: 1.604
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.49
ACD/KOC (pH 5.5): 2174.56
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 215.45
ACD/KOC (pH 7.4): 1448.33
Polar Surface Area: 56 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 226.7±3.0 cm3

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