ChemSpider 2D Image | (2E)-3-(4-Ethoxy-3-fluorophenyl)-1-[2-methoxy-5-(2-thienyl)phenyl]-2-propen-1-one | C22H19FO3S

(2E)-3-(4-Ethoxy-3-fluorophenyl)-1-[2-methoxy-5-(2-thienyl)phenyl]-2-propen-1-one

  • Molecular FormulaC22H19FO3S
  • Average mass382.448 Da
  • Monoisotopic mass382.103882 Da
  • ChemSpider ID10762948

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Ethoxy-3-fluorophenyl)-1-[2-methoxy-5-(2-thienyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-Éthoxy-3-fluorophényl)-1-[2-méthoxy-5-(2-thiényl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(4-ethoxy-3-fluorophenyl)-1-[2-methoxy-5-(thiophen-2-yl)phenyl]prop-2-en-1-one
(2E)-3-(4-Ethoxy-3-fluorphenyl)-1-[2-methoxy-5-(2-thienyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-ethoxy-3-fluorophenyl)-1-[2-methoxy-5-(2-thienyl)phenyl]-, (2E)- [ACD/Index Name]
(E)-3-(4-Ethoxy-3-fluoro-phenyl)-1-(2-methoxy-5-thiophen-2-yl-phenyl)-propenone
CHEMBL290710
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290710/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6720.63
ACD/KOC (pH 5.5): 19109.57
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6720.63
ACD/KOC (pH 7.4): 19109.57
Polar Surface Area: 64 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 313.3±3.0 cm3

Click to predict properties on the Chemicalize site


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