ChemSpider 2D Image | (1S,5S)-3-(4-Methoxyphenyl)-1-adamantanecarboxylic acid | C18H22O3

(1S,5S)-3-(4-Methoxyphenyl)-1-adamantanecarboxylic acid

  • Molecular FormulaC18H22O3
  • Average mass286.366 Da
  • Monoisotopic mass286.156891 Da
  • ChemSpider ID57319303

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,5S)-3-(4-Methoxyphenyl)-1-adamantancarbonsäure [German] [ACD/IUPAC Name]
(1S,5S)-3-(4-Methoxyphenyl)-1-adamantanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,5S)-3-(4-méthoxyphényl)-1-adamantanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-(4-methoxyphenyl)-, (1S,5S)- [ACD/Index Name]
3-(4-methoxyphenyl)adamantane-1-carboxylic acid
56531-56-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 441.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 160.0±20.3 °C
Index of Refraction: 1.607
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 99.49
ACD/KOC (pH 5.5): 545.41
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 8.69
Polar Surface Area: 47 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


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