ChemSpider 2D Image | 3-{(Dimethylamino)[(1R,2R)-2-hydroxycyclohexyl]methyl}phenol | C15H23NO2

3-{(Dimethylamino)[(1R,2R)-2-hydroxycyclohexyl]methyl}phenol

  • Molecular FormulaC15H23NO2
  • Average mass249.349 Da
  • Monoisotopic mass249.172882 Da
  • ChemSpider ID67139934

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

3-{(Dimethylamino)[(1R,2R)-2-hydroxycyclohexyl]methyl}phenol [German] [ACD/IUPAC Name]
3-{(Dimethylamino)[(1R,2R)-2-hydroxycyclohexyl]methyl}phenol [ACD/IUPAC Name]
3-{(Diméthylamino)[(1R,2R)-2-hydroxycyclohexyl]méthyl}phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(dimethylamino)[(1R,2R)-2-hydroxycyclohexyl]methyl]- [ACD/Index Name]
(-)cis-2(??-dimethylamino-m-hydroxybenzyl)cyclohexanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 385.7±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 185.1±19.6 °C
Index of Refraction: 1.577
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 3.42
ACD/KOC (pH 7.4): 38.67
Polar Surface Area: 44 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 221.2±3.0 cm3

Click to predict properties on the Chemicalize site


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