ChemSpider 2D Image | (4R)-6-[2-(2,4-Dichloro-6-hydroxyphenyl)ethyl]-4-hydroxytetrahydro-2H-pyran-2-one | C13H14Cl2O4

(4R)-6-[2-(2,4-Dichloro-6-hydroxyphenyl)ethyl]-4-hydroxytetrahydro-2H-pyran-2-one

  • Molecular FormulaC13H14Cl2O4
  • Average mass305.154 Da
  • Monoisotopic mass304.026917 Da
  • ChemSpider ID23141432

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4R)-6-[2-(2,4-Dichlor-6-hydroxyphenyl)ethyl]-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4R)-6-[2-(2,4-Dichloro-6-hydroxyphenyl)ethyl]-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R)-6-[2-(2,4-Dichloro-6-hydroxyphényl)éthyl]-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[2-(2,4-dichloro-6-hydroxyphenyl)ethyl]tetrahydro-4-hydroxy-, (4R)- [ACD/Index Name]
6-[2-(2,4-Dichloro-6-hydroxy-phenyl)-ethyl]-4-hydroxy-tetrahydro-pyran-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 502.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 257.7±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.62
ACD/KOC (pH 5.5): 625.38
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 48.97
ACD/KOC (pH 7.4): 540.94
Polar Surface Area: 67 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 211.6±3.0 cm3

Click to predict properties on the Chemicalize site


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