ChemSpider 2D Image | Methyl 3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(4-isobutoxy-3-methoxyphenyl)propanoate | C30H30O8

Methyl 3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(4-isobutoxy-3-methoxyphenyl)propanoate

  • Molecular FormulaC30H30O8
  • Average mass518.554 Da
  • Monoisotopic mass518.194092 Da
  • ChemSpider ID29772279

More details:

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

3-(5,7-Dihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)-3-(4-isobutoxy-3-méthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 5,7-dihydroxy-β-[3-methoxy-4-(2-methylpropoxy)phenyl]-4-oxo-2-phenyl-, methyl ester [ACD/Index Name]
Methyl 3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(4-isobutoxy-3-methoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-(4-isobutoxy-3-methoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574399-24-8 [RN]
MCULE-1836766992
methyl 3-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoate
MolPort-028-856-114

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 681.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.6±3.0 kJ/mol
    Flash Point: 221.9±25.0 °C
    Index of Refraction: 1.605
    Molar Refractivity: 140.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.57
    ACD/LogD (pH 5.5): 4.91
    ACD/BCF (pH 5.5): 3091.57
    ACD/KOC (pH 5.5): 10629.54
    ACD/LogD (pH 7.4): 3.95
    ACD/BCF (pH 7.4): 338.33
    ACD/KOC (pH 7.4): 1163.27
    Polar Surface Area: 112 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 407.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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