ChemSpider 2D Image | (2E)-1-(2,4-Dimethylphenyl)-3-(4-isopropylphenyl)-2-propen-1-one | C20H22O

(2E)-1-(2,4-Dimethylphenyl)-3-(4-isopropylphenyl)-2-propen-1-one

  • Molecular FormulaC20H22O
  • Average mass278.388 Da
  • Monoisotopic mass278.167053 Da
  • ChemSpider ID29808314

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(2,4-Dimethylphenyl)-3-(4-isopropylphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2,4-Dimethylphenyl)-3-(4-isopropylphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2,4-Diméthylphényl)-3-(4-isopropylphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2,4-dimethylphenyl)-3-[4-(1-methylethyl)phenyl]-, (2E)- [ACD/Index Name]
(2E)-1-(2,4-dimethylphenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
(E)-1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
1354941-28-8 [RN]
atoms 21 bonds 22
MFCD21335174

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 428.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 185.8±23.7 °C
    Index of Refraction: 1.582
    Molar Refractivity: 90.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.27
    ACD/LogD (pH 5.5): 5.51
    ACD/BCF (pH 5.5): 9156.76
    ACD/KOC (pH 5.5): 23845.40
    ACD/LogD (pH 7.4): 5.51
    ACD/BCF (pH 7.4): 9156.76
    ACD/KOC (pH 7.4): 23845.40
    Polar Surface Area: 17 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 39.1±3.0 dyne/cm
    Molar Volume: 272.4±3.0 cm3

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