ChemSpider 2D Image | 5-(4-Butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one | C28H33NO8

5-(4-Butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H33NO8
  • Average mass511.564 Da
  • Monoisotopic mass511.220612 Da
  • ChemSpider ID12220947

More details:

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

2H-Pyrrol-2-one, 5-(4-butoxy-3-ethoxyphenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]-1,5-dihydro-3-hydroxy-1-(2-methoxyethyl)- [ACD/Index Name]
5-(4-Butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(4-Butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Butoxy-3-éthoxyphényl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(2-méthoxyéthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-(2H,3H-benzo[3,4-e]1,4-dioxin-6-ylcarbonyl)-5-(4-butoxy-3-ethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-3-pyrrolin-2-one
5-(4-butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(2-methoxyethyl)-2,5-dihydro-1H-pyrrol-2-one
5-(4-butoxy-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one
577694-59-8 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 686.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.7±3.0 kJ/mol
    Flash Point: 369.0±31.5 °C
    Index of Refraction: 1.582
    Molar Refractivity: 135.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 4.84
    ACD/LogD (pH 5.5): 2.16
    ACD/BCF (pH 5.5): 14.42
    ACD/KOC (pH 5.5): 119.01
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.05
    Polar Surface Area: 104 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 407.1±3.0 cm3

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