ChemSpider 2D Image | 1-(2-Fluoro-3-methoxyphenyl)-4-(2-methyl-2-propanyl)cycloheptanol | C18H27FO2

1-(2-Fluoro-3-methoxyphenyl)-4-(2-methyl-2-propanyl)cycloheptanol

  • Molecular FormulaC18H27FO2
  • Average mass294.404 Da
  • Monoisotopic mass294.199493 Da
  • ChemSpider ID40962943

More details:

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

1-(2-Fluor-3-methoxyphenyl)-4-(2-methyl-2-propanyl)cycloheptanol [German] [ACD/IUPAC Name]
1-(2-Fluoro-3-methoxyphenyl)-4-(2-methyl-2-propanyl)cycloheptanol [ACD/IUPAC Name]
1-(2-Fluoro-3-méthoxyphényl)-4-(2-méthyl-2-propanyl)cycloheptanol [French] [ACD/IUPAC Name]
Cycloheptanol, 4-(1,1-dimethylethyl)-1-(2-fluoro-3-methoxyphenyl)- [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: 400.7±40.0 °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: 181.6±23.8 °C
Index of Refraction: 1.509
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2740.33
ACD/KOC (pH 5.5): 10054.82
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2740.33
ACD/KOC (pH 7.4): 10054.82
Polar Surface Area: 29 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 278.3±3.0 cm3

Click to predict properties on the Chemicalize site


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