ChemSpider 2D Image | (1S,2S,3aS,5S,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-indene-1,2-diol | C16H22O3

(1S,2S,3aS,5S,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-indene-1,2-diol

  • Molecular FormulaC16H22O3
  • Average mass262.344 Da
  • Monoisotopic mass262.156891 Da
  • ChemSpider ID29763809

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,3aS,5S,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-inden-1,2-diol [German] [ACD/IUPAC Name]
(1S,2S,3aS,5S,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-indene-1,2-diol [ACD/IUPAC Name]
(1S,2S,3aS,5S,7aS)-5-(4-Hydroxyphényl)-7a-méthyloctahydro-1H-indène-1,2-diol [French] [ACD/IUPAC Name]
1H-Indene-1,2-diol, octahydro-5-(4-hydroxyphenyl)-7a-methyl-, (1S,2S,3aS,5S,7aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 424.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 200.3±23.3 °C
Index of Refraction: 1.612
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.63
ACD/KOC (pH 5.5): 430.98
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.58
ACD/KOC (pH 7.4): 430.27
Polar Surface Area: 61 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 212.0±3.0 cm3

Click to predict properties on the Chemicalize site


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