ChemSpider 2D Image | 3-Prenyl-2,4,6-trihydroxybenzophenone | C18H18O4

3-Prenyl-2,4,6-trihydroxybenzophenone

  • Molecular FormulaC18H18O4
  • Average mass298.333 Da
  • Monoisotopic mass298.120514 Da
  • ChemSpider ID28425563

More details:

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

3-Prenyl-2,4,6-trihydroxybenzophenone
93796-20-4 [RN]
Methanone, phenyl[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]- [ACD/Index Name]
Phenyl[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanon [German] [ACD/IUPAC Name]
Phenyl[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanone [ACD/IUPAC Name]
Phényl[2,4,6-trihydroxy-3-(3-méthyl-2-butén-1-yl)phényl]méthanone [French] [ACD/IUPAC Name]
[93796-20-4] [RN]
2,4,6-trihydroxy-3-(3-methylbut-2-enyl)benzophenone
5-Phenylvaleric acid
Methanone, phenyl[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 461.0±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.9±3.0 kJ/mol
    Flash Point: 246.7±19.4 °C
    Index of Refraction: 1.631
    Molar Refractivity: 85.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.59
    ACD/LogD (pH 5.5): 4.95
    ACD/BCF (pH 5.5): 3399.99
    ACD/KOC (pH 5.5): 11689.92
    ACD/LogD (pH 7.4): 4.64
    ACD/BCF (pH 7.4): 1656.80
    ACD/KOC (pH 7.4): 5696.44
    Polar Surface Area: 78 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 55.5±3.0 dyne/cm
    Molar Volume: 238.6±3.0 cm3

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