ChemSpider 2D Image | (1R,2S)-3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid | C17H22O3

(1R,2S)-3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid

  • Molecular FormulaC17H22O3
  • Average mass274.355 Da
  • Monoisotopic mass274.156891 Da
  • ChemSpider ID32809804

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(1R,2S)-3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl-, (1R,2S)- [ACD/Index Name]
Acide (1R,2S)-3-éthyl-4-(4-méthoxyphényl)-2-méthyl-3-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
16143-45-6 [RN]
1755-52-8 [RN]
Carbestrol
CARBESTROL, TRANS-
UNII-C85AI8SOCH

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

UNII-UBY5I3ULX5 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 426.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 152.3±22.2 °C
Index of Refraction: 1.531
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 97.39
ACD/KOC (pH 5.5): 501.78
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 7.89
Polar Surface Area: 47 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 253.7±3.0 cm3

Click to predict properties on the Chemicalize site


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