ChemSpider 2D Image | (4R,6R)-6-[2-(2,4-Dichlorophenyl)ethyl]-4-hydroxy-4-methyltetrahydro-2H-pyran-2-one | C14H16Cl2O3

(4R,6R)-6-[2-(2,4-Dichlorophenyl)ethyl]-4-hydroxy-4-methyltetrahydro-2H-pyran-2-one

  • Molecular FormulaC14H16Cl2O3
  • Average mass303.181 Da
  • Monoisotopic mass302.047638 Da
  • ChemSpider ID23201725

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,6R)-6-[2-(2,4-Dichlorophenyl)ethyl]-4-hydroxy-4-methyltetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R,6R)-6-[2-(2,4-Dichlorophényl)éthyl]-4-hydroxy-4-méthyltétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
(4R,6R)-6-[2-(2,4-Dichlorphenyl)ethyl]-4-hydroxy-4-methyltetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[2-(2,4-dichlorophenyl)ethyl]tetrahydro-4-hydroxy-4-methyl-, (4R,6R)- [ACD/Index Name]
6-[2-(2,4-Dichloro-phenyl)-ethyl]-4-hydroxy-4-methyl-tetrahydro-pyran-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL332558/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 454.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 228.9±27.3 °C
Index of Refraction: 1.557
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.76
ACD/KOC (pH 5.5): 1018.07
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.76
ACD/KOC (pH 7.4): 1018.07
Polar Surface Area: 47 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 231.6±3.0 cm3

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