ChemSpider 2D Image | (2E)-1-(2-Methylphenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-2-propen-1-one | C20H22O

(2E)-1-(2-Methylphenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-2-propen-1-one

  • Molecular FormulaC20H22O
  • Average mass278.388 Da
  • Monoisotopic mass278.167053 Da
  • ChemSpider ID29808326

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(2-Methylphenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2-Methylphenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2-Méthylphényl)-3-[4-(2-méthyl-2-propanyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[4-(1,1-dimethylethyl)phenyl]-1-(2-methylphenyl)-, (2E)- [ACD/Index Name]
(2E)-3-(4-tert-butylphenyl)-1-(2-methylphenyl)prop-2-en-1-one
(E)-3-(4-tert-butylphenyl)-1-(2-methylphenyl)prop-2-en-1-one
177752-50-0 [RN]
atoms 21 bonds 22
MFCD21335198

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 407.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.9±3.0 kJ/mol
    Flash Point: 175.1±23.7 °C
    Index of Refraction: 1.576
    Molar Refractivity: 90.3±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.16
    ACD/LogD (pH 5.5): 5.55
    ACD/BCF (pH 5.5): 9813.91
    ACD/KOC (pH 5.5): 25058.21
    ACD/LogD (pH 7.4): 5.55
    ACD/BCF (pH 7.4): 9813.91
    ACD/KOC (pH 7.4): 25058.21
    Polar Surface Area: 17 Å2
    Polarizability: 35.8±0.5 10-24cm3
    Surface Tension: 37.9±3.0 dyne/cm
    Molar Volume: 272.8±3.0 cm3

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