ChemSpider 2D Image | (3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-3,5-decanediol | C17H28O4

(3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-3,5-decanediol

  • Molecular FormulaC17H28O4
  • Average mass296.402 Da
  • Monoisotopic mass296.198761 Da
  • ChemSpider ID34528031
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-3,5-decandiol [German] [ACD/IUPAC Name]
(3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-3,5-decanediol [ACD/IUPAC Name]
(3R,5R)-1-(4-Hydroxy-3-méthoxyphényl)-3,5-décanediol [French] [ACD/IUPAC Name]
3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, (3R,5R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 473.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 240.3±27.3 °C
Index of Refraction: 1.532
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.03
ACD/KOC (pH 5.5): 1058.64
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.83
ACD/KOC (pH 7.4): 1056.79
Polar Surface Area: 70 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 272.5±3.0 cm3

Click to predict properties on the Chemicalize site






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