ChemSpider 2D Image | (2E)-1-(4-Chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-[(4-methylphenyl)sulfanyl]-2-propen-1-one | C23H19ClO3S

(2E)-1-(4-Chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-[(4-methylphenyl)sulfanyl]-2-propen-1-one

  • Molecular FormulaC23H19ClO3S
  • Average mass410.913 Da
  • Monoisotopic mass410.074341 Da
  • ChemSpider ID26351361

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(4-Chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-[(4-methylphenyl)sulfanyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(4-Chlorophényl)-3-(3-hydroxy-4-méthoxyphényl)-2-[(4-méthylphényl)sulfanyl]-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-(4-Chlorphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-[(4-methylphenyl)sulfanyl]-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-(4-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-[(4-methylphenyl)thio]-, (2E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1242406/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 324.9±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6462.27
ACD/KOC (pH 5.5): 18579.70
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6353.80
ACD/KOC (pH 7.4): 18267.82
Polar Surface Area: 72 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 308.5±5.0 cm3

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