ChemSpider 2D Image | 5-{4-Hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydro-1-benzofuran-3-yl}-1,3-benzenediol | C28H22O6

5-{4-Hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydro-1-benzofuran-3-yl}-1,3-benzenediol

  • Molecular FormulaC28H22O6
  • Average mass454.471 Da
  • Monoisotopic mass454.141632 Da
  • ChemSpider ID72388428

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenediol, 5-[2,3-dihydro-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]- [ACD/Index Name]
5-{4-Hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydro-1-benzofuran-3-yl}-1,3-benzenediol [ACD/IUPAC Name]
5-{4-Hydroxy-2-(4-hydroxyphényl)-6-[(E)-2-(4-hydroxyphényl)vinyl]-2,3-dihydro-1-benzofuran-3-yl}-1,3-benzènediol [French] [ACD/IUPAC Name]
5-{4-Hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydro-1-benzofuran-3-yl}-1,3-benzoldiol [German] [ACD/IUPAC Name]
84870-54-2 [RN]
MFCD23704898

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 655.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.0±3.0 kJ/mol
    Flash Point: 350.1±31.5 °C
    Index of Refraction: 1.777
    Molar Refractivity: 131.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 4.60
    ACD/LogD (pH 5.5): 4.23
    ACD/BCF (pH 5.5): 966.08
    ACD/KOC (pH 5.5): 4766.81
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 938.31
    ACD/KOC (pH 7.4): 4629.78
    Polar Surface Area: 110 Å2
    Polarizability: 52.0±0.5 10-24cm3
    Surface Tension: 79.2±3.0 dyne/cm
    Molar Volume: 313.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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