ChemSpider 2D Image | [4-({8-[Allyl(methyl)amino]octyl}oxy)-2-hydroxyphenyl](4-chlorophenyl)methanone | C25H32ClNO3

[4-({8-[Allyl(methyl)amino]octyl}oxy)-2-hydroxyphenyl](4-chlorophenyl)methanone

  • Molecular FormulaC25H32ClNO3
  • Average mass429.979 Da
  • Monoisotopic mass429.207062 Da
  • ChemSpider ID23288154

More details:

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

(4-chlorophenyl)[2-hydroxy-4-({8-[methyl(prop-2-en-1-yl)amino]octyl}oxy)phenyl]methanone
[4-({8-[Allyl(methyl)amino]octyl}oxy)-2-hydroxyphenyl](4-chlorophenyl)methanone [ACD/IUPAC Name]
[4-({8-[Allyl(méthyl)amino]octyl}oxy)-2-hydroxyphényl](4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
[4-({8-[Allyl(methyl)amino]octyl}oxy)-2-hydroxyphenyl](4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, (4-chlorophenyl)[2-hydroxy-4-[[8-(methyl-2-propen-1-ylamino)octyl]oxy]phenyl]- [ACD/Index Name]
(4-(8-(allyl(methyl)amino)octyloxy)-2-hydroxyphenyl)(4-chlorophenyl)methanone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388902/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 288.4±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 123.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 91.49
ACD/KOC (pH 5.5): 131.45
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 971.44
ACD/KOC (pH 7.4): 1395.84
Polar Surface Area: 50 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 385.9±3.0 cm3

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