ChemSpider 2D Image | {3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-hydroxypropyl]phenoxy}acetic acid | C19H22O6

{3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-hydroxypropyl]phenoxy}acetic acid

  • Molecular FormulaC19H22O6
  • Average mass346.374 Da
  • Monoisotopic mass346.141632 Da
  • ChemSpider ID57575892

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-2-(3-(3-(3,4-dimethoxyphenyl)-1-hydroxypropyl)phenoxy)acetic acid
{3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-hydroxypropyl]phenoxy}acetic acid [ACD/IUPAC Name]
{3-[(1R)-3-(3,4-Dimethoxyphenyl)-1-hydroxypropyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
215169-00-9 [RN]
Acetic acid, 2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]- [ACD/Index Name]
Acide {3-[(1R)-3-(3,4-diméthoxyphényl)-1-hydroxypropyl]phénoxy}acétique [French] [ACD/IUPAC Name]
(R)-[3-[3-(3,4-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]acetic acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 530.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.8±3.0 kJ/mol
    Flash Point: 187.8±23.6 °C
    Index of Refraction: 1.574
    Molar Refractivity: 92.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.26
    ACD/LogD (pH 5.5): -0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.99
    ACD/LogD (pH 7.4): -1.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 36.7±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 280.9±3.0 cm3

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