ChemSpider 2D Image | (1S,2R)-1-(3,4-Dimethoxyphenyl)-1,2-propanediol | C11H16O4

(1S,2R)-1-(3,4-Dimethoxyphenyl)-1,2-propanediol

  • Molecular FormulaC11H16O4
  • Average mass212.242 Da
  • Monoisotopic mass212.104858 Da
  • ChemSpider ID32790038

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-1-(3,4-Dimethoxyphenyl)-1,2-propandiol [German] [ACD/IUPAC Name]
(1S,2R)-1-(3,4-Dimethoxyphenyl)-1,2-propanediol [ACD/IUPAC Name]
(1S,2R)-1-(3,4-Diméthoxyphényl)-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 1-(3,4-dimethoxyphenyl)-, (1S,2R)- [ACD/Index Name]
1-(3,4-Dimethoxyphenyl)propane-1,2-diol
2-(3,4-dimethoxyphenyl)propane-1,3-diol
20133-19-1 [RN]
UNII-N6222F124L

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

Density: 1.2±0.1 g/cm3
Boiling Point: 368.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 176.6±27.9 °C
Index of Refraction: 1.534
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 45.03
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 45.03
Polar Surface Area: 59 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 182.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement