ChemSpider 2D Image | Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-{4-[(4-isopropylbenzyl)oxy]phenyl}propanoate | C35H32O10

Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-{4-[(4-isopropylbenzyl)oxy]phenyl}propanoate

  • Molecular FormulaC35H32O10
  • Average mass612.623 Da
  • Monoisotopic mass612.199524 Da
  • ChemSpider ID30717561

More details:

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

3-[2-(3,4-Dihydroxyphényl)-3,5,7-trihydroxy-4-oxo-4H-chromén-8-yl]-3-{4-[(4-isopropylbenzyl)oxy]phényl}propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-β-[4-[[4-(1-methylethyl)phenyl]methoxy]phenyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-{4-[(4-isopropylbenzyl)oxy]phenyl}propanoate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-{4-[(4-isopropylbenzyl)oxy]phenyl}propanoat [German] [ACD/IUPAC Name]
1574347-22-0 [RN]
methyl 3-(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl)-3-(4-((4-isopropylbenzyl)oxy)phenyl)propanoate
methyl 3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 822.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 123.7±3.0 kJ/mol
    Flash Point: 262.6±27.8 °C
    Index of Refraction: 1.674
    Molar Refractivity: 163.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 4
    ACD/LogP: 6.53
    ACD/LogD (pH 5.5): 5.69
    ACD/BCF (pH 5.5): 12139.73
    ACD/KOC (pH 5.5): 28186.60
    ACD/LogD (pH 7.4): 4.64
    ACD/BCF (pH 7.4): 1073.71
    ACD/KOC (pH 7.4): 2492.99
    Polar Surface Area: 163 Å2
    Polarizability: 64.9±0.5 10-24cm3
    Surface Tension: 68.6±3.0 dyne/cm
    Molar Volume: 435.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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