ChemSpider 2D Image | 2-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one | C25H26O6

2-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one

  • Molecular FormulaC25H26O6
  • Average mass422.470 Da
  • Monoisotopic mass422.172943 Da
  • ChemSpider ID20023191

More details:

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

2-(3,4-Dihydroxy-5-((E)-3-methyl-but-2-enyl)-phenyl)-5,7-dihydroxy-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one
2-[3,4-Dihydroxy-5-((E)-3-methyl-but-2-enyl)-phenyl]-5,7-dihydroxy-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one
2-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one [ACD/IUPAC Name]
2-[3,4-Dihydroxy-5-(3-méthyl-2-butén-1-yl)phényl]-5,7-dihydroxy-8-(3-méthyl-2-butén-1-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
[125072-69-7] [RN]
[161068-53-7] [RN]
124596-89-0 [RN]
125072-69-7 [RN]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 665.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.4±3.0 kJ/mol
    Flash Point: 228.2±25.0 °C
    Index of Refraction: 1.650
    Molar Refractivity: 118.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.59
    ACD/LogD (pH 5.5): 5.85
    ACD/BCF (pH 5.5): 16128.34
    ACD/KOC (pH 5.5): 34857.40
    ACD/LogD (pH 7.4): 4.92
    ACD/BCF (pH 7.4): 1895.45
    ACD/KOC (pH 7.4): 4096.55
    Polar Surface Area: 107 Å2
    Polarizability: 46.9±0.5 10-24cm3
    Surface Tension: 59.6±3.0 dyne/cm
    Molar Volume: 324.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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