ChemSpider 2D Image | 4-Bromo-2-[(1R,2S,5S)-1,2-dimethylbicyclo[3.1.0]hex-2-yl]-5-methylphenol | C15H19BrO

4-Bromo-2-[(1R,2S,5S)-1,2-dimethylbicyclo[3.1.0]hex-2-yl]-5-methylphenol

  • Molecular FormulaC15H19BrO
  • Average mass295.215 Da
  • Monoisotopic mass294.061920 Da
  • ChemSpider ID88297935

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Brom-2-[(1R,2S,5S)-1,2-dimethylbicyclo[3.1.0]hex-2-yl]-5-methylphenol [German] [ACD/IUPAC Name]
4-Bromo-2-[(1R,2S,5S)-1,2-dimethylbicyclo[3.1.0]hex-2-yl]-5-methylphenol [ACD/IUPAC Name]
4-Bromo-2-[(1R,2S,5S)-1,2-diméthylbicyclo[3.1.0]hex-2-yl]-5-méthylphénol [French] [ACD/IUPAC Name]
Phenol, 4-bromo-2-[(1R,2S,5S)-1,2-dimethylbicyclo[3.1.0]hex-2-yl]-5-methyl- [ACD/Index Name]
10539-87-4 [RN]
laurinterol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 353.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 167.6±27.9 °C
Index of Refraction: 1.600
Molar Refractivity: 73.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9813.94
ACD/KOC (pH 5.5): 25057.80
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9764.31
ACD/KOC (pH 7.4): 24931.10
Polar Surface Area: 20 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 215.7±3.0 cm3

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