ChemSpider 2D Image | 1-(4-Fluorophenyl)-4-{[4-(methylsulfanyl)benzyl]oxy}-2-butyn-1-ol | C18H17FO2S

1-(4-Fluorophenyl)-4-{[4-(methylsulfanyl)benzyl]oxy}-2-butyn-1-ol

  • Molecular FormulaC18H17FO2S
  • Average mass316.390 Da
  • Monoisotopic mass316.093323 Da
  • ChemSpider ID28477568

More details:

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

1-(4-Fluorophenyl)-4-{[4-(methylsulfanyl)benzyl]oxy}-2-butyn-1-ol [ACD/IUPAC Name]
1-(4-Fluorophényl)-4-{[4-(méthylsulfanyl)benzyl]oxy}-2-butyn-1-ol [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-4-{[4-(methylsulfanyl)benzyl]oxy}-2-butin-1-ol [German] [ACD/IUPAC Name]
Benzenemethanol, 4-fluoro-α-[3-[[4-(methylthio)phenyl]methoxy]-1-propyn-1-yl]- [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: 482.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 245.6±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 698.96
ACD/KOC (pH 5.5): 3781.46
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 698.94
ACD/KOC (pH 7.4): 3781.38
Polar Surface Area: 55 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 254.2±5.0 cm3

Click to predict properties on the Chemicalize site


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