ChemSpider 2D Image | (1R,3S)-3-[4-(2-Heptanyloxy)-1H-indol-7-yl]cyclohexanol | C21H31NO2

(1R,3S)-3-[4-(2-Heptanyloxy)-1H-indol-7-yl]cyclohexanol

  • Molecular FormulaC21H31NO2
  • Average mass329.476 Da
  • Monoisotopic mass329.235474 Da
  • ChemSpider ID23130454

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,3S)-3-[4-(2-Heptanyloxy)-1H-indol-7-yl]cyclohexanol [German] [ACD/IUPAC Name]
(1R,3S)-3-[4-(2-Heptanyloxy)-1H-indol-7-yl]cyclohexanol [ACD/IUPAC Name]
(1R,3S)-3-[4-(2-Heptanyloxy)-1H-indol-7-yl]cyclohexanol [French] [ACD/IUPAC Name]
(1R,3S)-3-[4-(heptan-2-yloxy)-1H-indol-7-yl]cyclohexanol
Cyclohexanol, 3-[4-[(1-methylhexyl)oxy]-1H-indol-7-yl]-, (1R,3S)- [ACD/Index Name]
3-[4-(1-Methyl-hexyloxy)-1H-indol-7-yl]-cyclohexanol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL285468/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 508.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.3±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14410.75
ACD/KOC (pH 5.5): 32989.51
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14410.75
ACD/KOC (pH 7.4): 32989.51
Polar Surface Area: 45 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 303.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement