ChemSpider 2D Image | (2E)-1-(2,3-Dihydroxy-4-methoxyphenyl)-3-(5-methyl-2-thienyl)-2-propen-1-one | C15H14O4S

(2E)-1-(2,3-Dihydroxy-4-methoxyphenyl)-3-(5-methyl-2-thienyl)-2-propen-1-one

  • Molecular FormulaC15H14O4S
  • Average mass290.334 Da
  • Monoisotopic mass290.061279 Da
  • ChemSpider ID24687536

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(2,3-Dihydroxy-4-methoxyphenyl)-3-(5-methyl-2-thienyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2,3-Dihydroxy-4-methoxyphenyl)-3-(5-methyl-2-thienyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2,3-Dihydroxy-4-méthoxyphényl)-3-(5-méthyl-2-thiényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2,3-dihydroxy-4-methoxyphenyl)-3-(5-methyl-2-thienyl)-, (2E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL444729/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 266.4±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 80.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 247.52
ACD/KOC (pH 5.5): 1782.46
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 71.59
ACD/KOC (pH 7.4): 515.56
Polar Surface Area: 95 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 216.4±3.0 cm3

Click to predict properties on the Chemicalize site


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