ChemSpider 2D Image | (1R,2S)-2-[2-(3-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid | C16H20O4

(1R,2S)-2-[2-(3-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid

  • Molecular FormulaC16H20O4
  • Average mass276.328 Da
  • Monoisotopic mass276.136169 Da
  • ChemSpider ID21397058

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-[2-(3-Methoxyphenyl)-2-oxoethyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,2S)-2-[2-(3-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2S)-2-[2-(3-méthoxyphényl)-2-oxoéthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-[2-(3-methoxyphenyl)-2-oxoethyl]-, (1R,2S)- [ACD/Index Name]
(1R,2S)-2-[2-(3-methoxyphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
735274-75-6 [RN]
MFCD01311384 [MDL number]
trans-2-[2-(3-methoxyphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
trans-2-[2-(3-Methoxyphenyl)-2-oxoethyl]-cyclohexane-1-carboxylic acid
TRANS-2-[2-(3-METHOXYPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLICACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 448.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 164.0±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: 3.09
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 32.16
ACD/KOC (pH 5.5): 279.74
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.84
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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