ChemSpider 2D Image | Bavachin | C20H20O4

Bavachin

  • Molecular FormulaC20H20O4
  • Average mass324.370 Da
  • Monoisotopic mass324.136169 Da
  • ChemSpider ID23327376

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
(2S)-7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-7-Hydroxy-2-(4-hydroxyphényl)-6-(3-méthyl-2-butén-1-yl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
19879-32-4 [RN]
4',7-Dihydroxy 6-(3-methyl 2-butenyl)flavanone
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-, (2S)- [ACD/Index Name]
Bavachin
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 558.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.2±3.0 kJ/mol
    Flash Point: 202.1±23.6 °C
    Index of Refraction: 1.622
    Molar Refractivity: 91.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.85
    ACD/LogD (pH 5.5): 4.47
    ACD/BCF (pH 5.5): 1460.12
    ACD/KOC (pH 5.5): 6403.96
    ACD/LogD (pH 7.4): 4.41
    ACD/BCF (pH 7.4): 1281.17
    ACD/KOC (pH 7.4): 5619.12
    Polar Surface Area: 67 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 52.9±3.0 dyne/cm
    Molar Volume: 260.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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