ChemSpider 2D Image | (1S,4R,5R,6R)-5-(4-Chlorophenyl)-6-hydroxybicyclo[2.2.2]octan-2-one | C14H15ClO2

(1S,4R,5R,6R)-5-(4-Chlorophenyl)-6-hydroxybicyclo[2.2.2]octan-2-one

  • Molecular FormulaC14H15ClO2
  • Average mass250.721 Da
  • Monoisotopic mass250.076050 Da
  • ChemSpider ID30653100

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4R,5R,6R)-5-(4-Chlorophenyl)-6-hydroxybicyclo[2.2.2]octan-2-one [ACD/IUPAC Name]
(1S,4R,5R,6R)-5-(4-Chlorophényl)-6-hydroxybicyclo[2.2.2]octan-2-one [French] [ACD/IUPAC Name]
(1S,4R,5R,6R)-5-(4-Chlorphenyl)-6-hydroxybicyclo[2.2.2]octan-2-on [German] [ACD/IUPAC Name]
Bicyclo[2.2.2]octan-2-one, 5-(4-chlorophenyl)-6-hydroxy-, (1S,4R,5R,6R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 202.0±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.42
ACD/KOC (pH 5.5): 419.80
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.42
ACD/KOC (pH 7.4): 419.80
Polar Surface Area: 37 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 192.6±3.0 cm3

Click to predict properties on the Chemicalize site


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