ChemSpider 2D Image | Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-{2-[(4-isopropylbenzyl)oxy]-3-methoxyphenyl}propanoate | C30H30O7

Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-{2-[(4-isopropylbenzyl)oxy]-3-methoxyphenyl}propanoate

  • Molecular FormulaC30H30O7
  • Average mass502.555 Da
  • Monoisotopic mass502.199158 Da
  • ChemSpider ID34497085

More details:

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

2H-1-Benzopyran-3-propanoic acid, 4-hydroxy-β-[3-methoxy-2-[[4-(1-methylethyl)phenyl]methoxy]phenyl]-2-oxo-, methyl ester [ACD/Index Name]
3-(4-Hydroxy-2-oxo-2H-chromén-3-yl)-3-{2-[(4-isopropylbenzyl)oxy]-3-méthoxyphényl}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-{2-[(4-isopropylbenzyl)oxy]-3-methoxyphenyl}propanoate [ACD/IUPAC Name]
Methyl-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-{2-[(4-isopropylbenzyl)oxy]-3-methoxyphenyl}propanoat [German] [ACD/IUPAC Name]
1676097-44-1 [RN]
methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2-((4-isopropylbenzyl)oxy)-3-methoxyphenyl)propanoate
methyl 3-(4-hydroxy-2-oxochromen-3-yl)-3-[3-methoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 674.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 104.1±3.0 kJ/mol
    Flash Point: 220.3±25.0 °C
    Index of Refraction: 1.606
    Molar Refractivity: 138.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.74
    ACD/LogD (pH 5.5): 4.84
    ACD/BCF (pH 5.5): 1593.38
    ACD/KOC (pH 5.5): 3453.28
    ACD/LogD (pH 7.4): 3.08
    ACD/BCF (pH 7.4): 27.49
    ACD/KOC (pH 7.4): 59.57
    Polar Surface Area: 91 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 52.7±3.0 dyne/cm
    Molar Volume: 400.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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