ChemSpider 2D Image | Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-[4-(2-phenylethoxy)phenyl]propanoate | C28H24O6

Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-[4-(2-phenylethoxy)phenyl]propanoate

  • Molecular FormulaC28H24O6
  • Average mass456.487 Da
  • Monoisotopic mass456.157288 Da
  • ChemSpider ID32511213

More details:

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

2-Naphthalenepropanoic acid, 1,4-dihydro-3-hydroxy-1,4-dioxo-β-[4-(2-phenylethoxy)phenyl]-, methyl ester [ACD/Index Name]
3-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)-3-[4-(2-phényléthoxy)phényl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-[4-(2-phenylethoxy)phenyl]propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)-3-[4-(2-phenylethoxy)phenyl]propanoat [German] [ACD/IUPAC Name]
1630842-70-4 [RN]
methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(4-phenethoxyphenyl)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: 656.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.5±3.0 kJ/mol
    Flash Point: 220.8±25.0 °C
    Index of Refraction: 1.637
    Molar Refractivity: 125.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.98
    ACD/LogD (pH 5.5): 3.76
    ACD/BCF (pH 5.5): 224.13
    ACD/KOC (pH 5.5): 782.92
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 4.04
    ACD/KOC (pH 7.4): 14.12
    Polar Surface Area: 90 Å2
    Polarizability: 49.6±0.5 10-24cm3
    Surface Tension: 59.9±3.0 dyne/cm
    Molar Volume: 348.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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