ChemSpider 2D Image | (1R,2R)-2-[2-(4-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid | C16H20O4

(1R,2R)-2-[2-(4-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid

  • Molecular FormulaC16H20O4
  • Average mass276.328 Da
  • Monoisotopic mass276.136169 Da
  • ChemSpider ID21397034

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-[2-(4-Methoxyphenyl)-2-oxoethyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-[2-(4-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R)-2-[2-(4-méthoxyphényl)-2-oxoéthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-[2-(4-methoxyphenyl)-2-oxoethyl]-, (1R,2R)- [ACD/Index Name]
(1R,2R)-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
736136-34-8 [RN]
cis-2-[2-(4-methoxyphenyl )-2-oxoethyl ]cyclohexane -1-carboxylic acid
cis-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
cis-2-[2-(4-Methoxyphenyl)-2-oxoethyl]-cyclohexane-1-carboxylic acid
cis-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1-carboxylicacid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 472.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.4±3.0 kJ/mol
    Flash Point: 174.3±13.9 °C
    Index of Refraction: 1.536
    Molar Refractivity: 74.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.99
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 33.07
    ACD/KOC (pH 5.5): 294.82
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.28
    Polar Surface Area: 64 Å2
    Polarizability: 29.6±0.5 10-24cm3
    Surface Tension: 43.8±3.0 dyne/cm
    Molar Volume: 239.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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