Found 34 results

Search term: MF = 'C_{18}H_{17}FO_{3}S'
ChemSpider 2D Image | (2E)-3-(3-Fluoro-4-methoxyphenyl)-1-[3-methoxy-4-(methylsulfanyl)phenyl]-2-propen-1-one | C18H17FO3S

(2E)-3-(3-Fluoro-4-methoxyphenyl)-1-[3-methoxy-4-(methylsulfanyl)phenyl]-2-propen-1-one

  • Molecular FormulaC18H17FO3S
  • Average mass332.389 Da
  • Monoisotopic mass332.088257 Da
  • ChemSpider ID31771654

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Fluor-4-methoxyphenyl)-1-[3-methoxy-4-(methylsulfanyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(3-Fluoro-4-methoxyphenyl)-1-[3-methoxy-4-(methylsulfanyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(3-Fluoro-4-méthoxyphényl)-1-[3-méthoxy-4-(méthylsulfanyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(3-fluoro-4-methoxyphenyl)-1-[3-methoxy-4-(methylthio)phenyl]-, (2E)- [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: 504.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.8±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1306.68
ACD/KOC (pH 5.5): 5917.70
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1306.68
ACD/KOC (pH 7.4): 5917.70
Polar Surface Area: 61 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 268.3±5.0 cm3

Click to predict properties on the Chemicalize site


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