ChemSpider 2D Image | (1S,3aR,5R,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | C16H22O2

(1S,3aR,5R,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol

  • Molecular FormulaC16H22O2
  • Average mass246.345 Da
  • Monoisotopic mass246.161987 Da
  • ChemSpider ID26389842
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S,3aR,5R,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol [German] [ACD/IUPAC Name]
(1S,3aR,5R,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol [ACD/IUPAC Name]
(1S,3aR,5R,7aS)-5-(4-Hydroxyphényl)-7a-méthyloctahydro-1H-indén-1-ol [French] [ACD/IUPAC Name]
1H-Inden-1-ol, octahydro-5-(4-hydroxyphenyl)-7a-methyl-, (1S,3aR,5R,7aS)- [ACD/Index Name]
ESE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 400.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 188.2±23.3 °C
Index of Refraction: 1.585
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.32
ACD/KOC (pH 5.5): 1079.66
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 121.12
ACD/KOC (pH 7.4): 1077.92
Polar Surface Area: 40 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 215.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement