ChemSpider 2D Image | (2E)-3-[4-(Benzyloxy)-3-chloro-5-ethoxyphenyl]-1-(5-chloro-2-methoxyphenyl)-2-propen-1-one | C25H22Cl2O4

(2E)-3-[4-(Benzyloxy)-3-chloro-5-ethoxyphenyl]-1-(5-chloro-2-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC25H22Cl2O4
  • Average mass457.346 Da
  • Monoisotopic mass456.089508 Da
  • ChemSpider ID126725345

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-(Benzyloxy)-3-chlor-5-ethoxyphenyl]-1-(5-chlor-2-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[4-(Benzyloxy)-3-chloro-5-ethoxyphenyl]-1-(5-chloro-2-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[4-(Benzyloxy)-3-chloro-5-éthoxyphényl]-1-(5-chloro-2-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3-chloro-5-ethoxy-4-(phenylmethoxy)phenyl]-1-(5-chloro-2-methoxyphenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 620.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 212.8±30.5 °C
Index of Refraction: 1.611
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 74997.90
ACD/KOC (pH 5.5): 107433.65
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 74997.90
ACD/KOC (pH 7.4): 107433.65
Polar Surface Area: 45 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 362.9±3.0 cm3

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