ChemSpider 2D Image | (5-Fluoro-3-hydroxy-2-methylphenyl)[5-(4-hydroxy-3,5-dimethylphenyl)-2-thienyl]methanone | C20H17FO3S

(5-Fluoro-3-hydroxy-2-methylphenyl)[5-(4-hydroxy-3,5-dimethylphenyl)-2-thienyl]methanone

  • Molecular FormulaC20H17FO3S
  • Average mass356.411 Da
  • Monoisotopic mass356.088257 Da
  • ChemSpider ID127425796

More details:

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

(5-Fluor-3-hydroxy-2-methylphenyl)[5-(4-hydroxy-3,5-dimethylphenyl)-2-thienyl]methanon [German] [ACD/IUPAC Name]
(5-Fluoro-3-hydroxy-2-methylphenyl)[5-(4-hydroxy-3,5-dimethylphenyl)-2-thienyl]methanone [ACD/IUPAC Name]
(5-Fluoro-3-hydroxy-2-méthylphényl)[5-(4-hydroxy-3,5-diméthylphényl)-2-thiényl]méthanone [French] [ACD/IUPAC Name]
Methanone, (5-fluoro-3-hydroxy-2-methylphenyl)[5-(4-hydroxy-3,5-dimethylphenyl)-2-thienyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4476100/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 273.4±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2343.79
ACD/KOC (pH 5.5): 8986.76
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2101.72
ACD/KOC (pH 7.4): 8058.60
Polar Surface Area: 86 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

Click to predict properties on the Chemicalize site


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