ChemSpider 2D Image | (4-Chlorophenyl)(4-{[(2E)-4-(3-{[2-(4-fluorophenyl)ethyl](methyl)amino}propoxy)-2-buten-1-yl]oxy}-2-hydroxyphenyl)methanone | C29H31ClFNO4

(4-Chlorophenyl)(4-{[(2E)-4-(3-{[2-(4-fluorophenyl)ethyl](methyl)amino}propoxy)-2-buten-1-yl]oxy}-2-hydroxyphenyl)methanone

  • Molecular FormulaC29H31ClFNO4
  • Average mass512.012 Da
  • Monoisotopic mass511.192566 Da
  • ChemSpider ID23288156

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-Chlorophenyl)(4-{[(2E)-4-(3-{[2-(4-fluorophenyl)ethyl](methyl)amino}propoxy)-2-buten-1-yl]oxy}-2-hydroxyphenyl)methanone [ACD/IUPAC Name]
(4-Chlorophényl)(4-{[(2E)-4-(3-{[2-(4-fluorophényl)éthyl](méthyl)amino}propoxy)-2-butén-1-yl]oxy}-2-hydroxyphényl)méthanone [French] [ACD/IUPAC Name]
(4-chlorophenyl)(4-{[(2E)-4-(3-{[2-(4-fluorophenyl)ethyl](methyl)amino}propoxy)but-2-en-1-yl]oxy}-2-hydroxyphenyl)methanone
(4-Chlorphenyl)(4-{[(2E)-4-(3-{[2-(4-fluorphenyl)ethyl](methyl)amino}propoxy)-2-buten-1-yl]oxy}-2-hydroxyphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, (4-chlorophenyl)[4-[[(2E)-4-[3-[[2-(4-fluorophenyl)ethyl]methylamino]propoxy]-2-buten-1-yl]oxy]-2-hydroxyphenyl]- [ACD/Index Name]
(E)-(4-chlorophenyl)(4-(4-(3-(4-fluorophenethylamino)propoxy)but-2-enyloxy)-2-hydroxyphenyl)methanone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388903/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 340.1±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 66.10
ACD/KOC (pH 5.5): 102.63
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 565.48
ACD/KOC (pH 7.4): 878.02
Polar Surface Area: 59 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 422.6±3.0 cm3

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