ChemSpider 2D Image | (4aR,8R,8aR)-4-Fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-chromen-8-ol | C18H23FO3

(4aR,8R,8aR)-4-Fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-chromen-8-ol

  • Molecular FormulaC18H23FO3
  • Average mass306.372 Da
  • Monoisotopic mass306.163116 Da
  • ChemSpider ID76775176

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(4aR,8R,8aR)-4-Fluor-2-(4-methoxyphenyl)-4,7-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-chromen-8-ol [German] [ACD/IUPAC Name]
(4aR,8R,8aR)-4-Fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-chromen-8-ol [ACD/IUPAC Name]
(4aR,8R,8aR)-4-Fluoro-2-(4-méthoxyphényl)-4,7-diméthyl-3,4,4a,5,8,8a-hexahydro-2H-chromén-8-ol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-8-ol, 4-fluoro-3,4,4a,5,8,8a-hexahydro-2-(4-methoxyphenyl)-4,7-dimethyl-, (4aR,8R,8aR)- [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: 440.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 196.0±25.2 °C
Index of Refraction: 1.552
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 409.73
ACD/KOC (pH 5.5): 2580.05
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 409.73
ACD/KOC (pH 7.4): 2580.04
Polar Surface Area: 39 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 259.6±5.0 cm3

Click to predict properties on the Chemicalize site


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