ChemSpider 2D Image | (4E)-5-[4-(Allyloxy)-3-ethoxyphenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylene]-1-[2-(4-morpholinyl)ethyl]-2,3-pyrrolidinedione | C31H36N2O7

(4E)-5-[4-(Allyloxy)-3-ethoxyphenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylene]-1-[2-(4-morpholinyl)ethyl]-2,3-pyrrolidinedione

  • Molecular FormulaC31H36N2O7
  • Average mass548.627 Da
  • Monoisotopic mass548.252258 Da
  • ChemSpider ID4749750

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-5-[4-(Allyloxy)-3-ethoxyphenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylen]-1-[2-(4-morpholinyl)ethyl]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
(4E)-5-[4-(Allyloxy)-3-ethoxyphenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylene]-1-[2-(4-morpholinyl)ethyl]-2,3-pyrrolidinedione [ACD/IUPAC Name]
(4E)-5-[4-(Allyloxy)-3-éthoxyphényl]-4-[hydroxy(2-méthyl-2,3-dihydro-1-benzofuran-5-yl)méthylène]-1-[2-(4-morpholinyl)éthyl]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 4-[(2,3-dihydro-2-methyl-5-benzofuranyl)hydroxymethylene]-5-[3-ethoxy-4-(2-propen-1-yloxy)phenyl]-1-[2-(4-morpholinyl)ethyl]-, (4E)- [ACD/Index Name]
(E)-[2-(3-ethoxy-4-prop-2-enoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
(E)-{2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 713.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.5±3.0 kJ/mol
    Flash Point: 385.4±35.7 °C
    Index of Refraction: 1.593
    Molar Refractivity: 149.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.43
    ACD/LogD (pH 5.5): 2.38
    ACD/BCF (pH 5.5): 24.01
    ACD/KOC (pH 5.5): 197.00
    ACD/LogD (pH 7.4): 3.06
    ACD/BCF (pH 7.4): 113.71
    ACD/KOC (pH 7.4): 933.05
    Polar Surface Area: 98 Å2
    Polarizability: 59.2±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 440.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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