ChemSpider 2D Image | (2E)-2-[(4-Chlorobenzyl)sulfanyl]-1-(4-chlorophenyl)-3-(2,4,6-trihydroxyphenyl)-2-propen-1-one | C22H16Cl2O4S

(2E)-2-[(4-Chlorobenzyl)sulfanyl]-1-(4-chlorophenyl)-3-(2,4,6-trihydroxyphenyl)-2-propen-1-one

  • Molecular FormulaC22H16Cl2O4S
  • Average mass447.331 Da
  • Monoisotopic mass446.014648 Da
  • ChemSpider ID26352206

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[(4-Chlorbenzyl)sulfanyl]-1-(4-chlorphenyl)-3-(2,4,6-trihydroxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-2-[(4-Chlorobenzyl)sulfanyl]-1-(4-chlorophenyl)-3-(2,4,6-trihydroxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-2-[(4-Chlorobenzyl)sulfanyl]-1-(4-chlorophényl)-3-(2,4,6-trihydroxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(4-chlorophenyl)-2-[[(4-chlorophenyl)methyl]thio]-3-(2,4,6-trihydroxyphenyl)-, (2E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1242304/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 681.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 365.8±31.5 °C
Index of Refraction: 1.728
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19532.81
ACD/KOC (pH 5.5): 40934.33
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 12735.20
ACD/KOC (pH 7.4): 26688.78
Polar Surface Area: 103 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 300.0±3.0 cm3

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