ChemSpider 2D Image | (1S,2S)-2-(4-Bromobenzyl)-1,1'-bi(cyclohexyl)-2-ol | C19H27BrO

(1S,2S)-2-(4-Bromobenzyl)-1,1'-bi(cyclohexyl)-2-ol

  • Molecular FormulaC19H27BrO
  • Average mass351.321 Da
  • Monoisotopic mass350.124512 Da
  • ChemSpider ID62631903

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-(4-Brombenzyl)-1,1'-bi(cyclohexyl)-2-ol [German] [ACD/IUPAC Name]
(1S,2S)-2-(4-Bromobenzyl)-1,1'-bi(cyclohexyl)-2-ol [ACD/IUPAC Name]
(1S,2S)-2-(4-Bromobenzyl)-1,1'-bi(cyclohexyl)-2-ol [French] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-2-ol, 2-[(4-bromophenyl)methyl]-, (1S,2S)- [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: 442.5±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 221.4±21.2 °C
Index of Refraction: 1.578
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25002.15
ACD/KOC (pH 5.5): 48939.24
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 25002.15
ACD/KOC (pH 7.4): 48939.24
Polar Surface Area: 20 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 276.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement