ChemSpider 2D Image | (1R,3R,4R)-4-(3-Hydroxypropyl)-3-[4-(2-methyl-2-octanyl)phenyl]cyclohexanol | C24H40O2

(1R,3R,4R)-4-(3-Hydroxypropyl)-3-[4-(2-methyl-2-octanyl)phenyl]cyclohexanol

  • Molecular FormulaC24H40O2
  • Average mass360.573 Da
  • Monoisotopic mass360.302826 Da
  • ChemSpider ID23320149

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3R,4R)-4-(3-Hydroxypropyl)-3-[4-(2-methyl-2-octanyl)phenyl]cyclohexanol [ACD/IUPAC Name]
(1R,3R,4R)-4-(3-Hydroxypropyl)-3-[4-(2-methyl-2-octanyl)phenyl]cyclohexanol [German] [ACD/IUPAC Name]
(1R,3R,4R)-4-(3-Hydroxypropyl)-3-[4-(2-méthyl-2-octanyl)phényl]cyclohexanol [French] [ACD/IUPAC Name]
(1R,3R,4R)-4-(3-hydroxypropyl)-3-[4-(2-methyloctan-2-yl)phenyl]cyclohexanol
Cyclohexanepropanol, 2-[4-(1,1-dimethylheptyl)phenyl]-4-hydroxy-, (1R,2R,4R)- [ACD/Index Name]
(1R*,3R*,4R*)-3-[4-(1,1-dimethylheptyl)phenyl]-4-(3-hydroxypropyl)cyclohexanol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL408777/
JWH-337

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

Density: 1.0±0.1 g/cm3
Boiling Point: 494.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 210.7±21.4 °C
Index of Refraction: 1.513
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 60287.49
ACD/KOC (pH 5.5): 91889.91
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 60287.49
ACD/KOC (pH 7.4): 91889.91
Polar Surface Area: 40 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 368.4±3.0 cm3

Click to predict properties on the Chemicalize site


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