ChemSpider 2D Image | (3S,5S)-1-(4-Hydroxy-3-methoxyphenyl)-3,5-octanediol | C15H24O4

(3S,5S)-1-(4-Hydroxy-3-methoxyphenyl)-3,5-octanediol

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID108341327

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,5S)-1-(4-Hydroxy-3-methoxyphenyl)-3,5-octandiol [German] [ACD/IUPAC Name]
(3S,5S)-1-(4-Hydroxy-3-methoxyphenyl)-3,5-octanediol [ACD/IUPAC Name]
(3S,5S)-1-(4-Hydroxy-3-méthoxyphényl)-3,5-octanediol [French] [ACD/IUPAC Name]
3,5-Octanediol, 1-(4-hydroxy-3-methoxyphenyl)-, (3S,5S)- [ACD/Index Name]
(3S,5S)-[4]-Gingerdiol
(3S,5S)-1-(4-hydroxy-3-methoxyphenyl)octane-3,5-diol
1448789-37-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 452.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.2±27.3 °C
Index of Refraction: 1.540
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.56
ACD/KOC (pH 5.5): 281.57
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.52
ACD/KOC (pH 7.4): 281.08
Polar Surface Area: 70 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 239.5±3.0 cm3

Click to predict properties on the Chemicalize site


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