ChemSpider 2D Image | 6-Benzoyl-5,7-dihydroxy-2,2-dimethylchromane | C18H18O4

6-Benzoyl-5,7-dihydroxy-2,2-dimethylchromane

  • Molecular FormulaC18H18O4
  • Average mass298.333 Da
  • Monoisotopic mass298.120514 Da
  • ChemSpider ID28425571

More details:

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

(5,7-Dihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)(phenyl)methanon [German] [ACD/IUPAC Name]
(5,7-Dihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)(phenyl)methanone [ACD/IUPAC Name]
(5,7-Dihydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-6-yl)(phényl)méthanone [French] [ACD/IUPAC Name]
6-Benzoyl-5,7-dihydroxy-2,2-dimethylchromane
86606-14-6 [RN]
Methanone, (3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)phenyl- [ACD/Index Name]
(5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-phenylmethanone
(5,7-Dihydroxy-2,2-dimethylchroman-6-yl)(phenyl)methanone
[86606-14-6] [RN]
MFCD19441066

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 436.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.0±3.0 kJ/mol
    Flash Point: 156.7±22.2 °C
    Index of Refraction: 1.605
    Molar Refractivity: 82.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.86
    ACD/LogD (pH 5.5): 5.26
    ACD/BCF (pH 5.5): 5886.91
    ACD/KOC (pH 5.5): 17326.01
    ACD/LogD (pH 7.4): 4.99
    ACD/BCF (pH 7.4): 3108.16
    ACD/KOC (pH 7.4): 9147.77
    Polar Surface Area: 67 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 240.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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