ChemSpider 2D Image | (2S)-2-Hydroxy-1-(4-hydroxyphenyl)-5-methyl-3-hexanone | C13H18O3

(2S)-2-Hydroxy-1-(4-hydroxyphenyl)-5-methyl-3-hexanone

  • Molecular FormulaC13H18O3
  • Average mass222.280 Da
  • Monoisotopic mass222.125595 Da
  • ChemSpider ID28657012

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxy-1-(4-hydroxyphenyl)-5-methyl-3-hexanon [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-1-(4-hydroxyphenyl)-5-methyl-3-hexanone [ACD/IUPAC Name]
(2S)-2-Hydroxy-1-(4-hydroxyphényl)-5-méthyl-3-hexanone [French] [ACD/IUPAC Name]
3-Hexanone, 2-hydroxy-1-(4-hydroxyphenyl)-5-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 373.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 194.1±20.2 °C
Index of Refraction: 1.540
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.00
ACD/KOC (pH 5.5): 253.19
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.95
ACD/KOC (pH 7.4): 252.42
Polar Surface Area: 58 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 198.6±3.0 cm3

Click to predict properties on the Chemicalize site


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