ChemSpider 2D Image | 4-(4-Butoxybenzoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one | C32H36N2O5

4-(4-Butoxybenzoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID11969020

More details:

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

2H-Pyrrol-2-one, 4-(4-butoxybenzoyl)-1,5-dihydro-3-hydroxy-5-[4-(pentyloxy)phenyl]-1-(4-pyridinylmethyl)- [ACD/Index Name]
4-(4-Butoxybenzoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(4-Butoxybenzoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(4-Butoxybenzoyl)-3-hydroxy-5-[4-(pentyloxy)phényl]-1-(4-pyridinylméthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-(4-Butoxybenzoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
4-(4-butoxybenzoyl)-3-hydroxy-5-(4-(pentyloxy)phenyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one
4-(4-butoxybenzoyl)-3-hydroxy-5-[4-(pentyloxy)phenyl]-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-5-(4-pentyloxyphenyl)-1-(4-pyridylmethyl)-3-pyrrolin-2-one
4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-5-[4-(pentyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
617695-66-6 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 729.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 111.8±3.0 kJ/mol
    Flash Point: 394.9±32.9 °C
    Index of Refraction: 1.602
    Molar Refractivity: 150.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 6.90
    ACD/LogD (pH 5.5): 4.34
    ACD/BCF (pH 5.5): 594.21
    ACD/KOC (pH 5.5): 1524.33
    ACD/LogD (pH 7.4): 2.74
    ACD/BCF (pH 7.4): 15.28
    ACD/KOC (pH 7.4): 39.21
    Polar Surface Area: 89 Å2
    Polarizability: 59.6±0.5 10-24cm3
    Surface Tension: 53.6±3.0 dyne/cm
    Molar Volume: 438.8±3.0 cm3

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