ChemSpider 2D Image | (3aR,5R,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-one | C16H20O2

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

  • Molecular FormulaC16H20O2
  • Average mass244.329 Da
  • Monoisotopic mass244.146332 Da
  • ChemSpider ID29763808

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 399.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 170.4±20.5 °C
Index of Refraction: 1.572
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.44
ACD/KOC (pH 5.5): 840.03
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.29
ACD/KOC (pH 7.4): 838.54
Polar Surface Area: 37 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 214.6±3.0 cm3

Click to predict properties on the Chemicalize site


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