ChemSpider 2D Image | (2E)-3-{3-Chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-1-(2,3,4-trimethoxyphenyl)-2-propen-1-one | C27H26ClFO6

(2E)-3-{3-Chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-1-(2,3,4-trimethoxyphenyl)-2-propen-1-one

  • Molecular FormulaC27H26ClFO6
  • Average mass500.943 Da
  • Monoisotopic mass500.140198 Da
  • ChemSpider ID126736424

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{3-Chlor-5-ethoxy-4-[(4-fluorbenzyl)oxy]phenyl}-1-(2,3,4-trimethoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-{3-Chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-1-(2,3,4-trimethoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-{3-Chloro-5-éthoxy-4-[(4-fluorobenzyl)oxy]phényl}-1-(2,3,4-triméthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-1-(2,3,4-trimethoxyphenyl)-, (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: 648.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 223.2±20.6 °C
Index of Refraction: 1.582
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9834.17
ACD/KOC (pH 5.5): 25095.25
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9834.17
ACD/KOC (pH 7.4): 25095.25
Polar Surface Area: 63 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

Click to predict properties on the Chemicalize site


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