ChemSpider 2D Image | (2R)-2-(4-Hydroxyphenyl)-3-[(4-methoxybenzyl)oxy]-3-oxopropanoic acid | C17H16O6

(2R)-2-(4-Hydroxyphenyl)-3-[(4-methoxybenzyl)oxy]-3-oxopropanoic acid

  • Molecular FormulaC17H16O6
  • Average mass316.305 Da
  • Monoisotopic mass316.094696 Da
  • ChemSpider ID32802622

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(4-Hydroxyphenyl)-3-[(4-methoxybenzyl)oxy]-3-oxopropanoic acid [ACD/IUPAC Name]
(2R)-2-(4-Hydroxyphenyl)-3-[(4-methoxybenzyl)oxy]-3-oxopropansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-(4-hydroxyphényl)-3-[(4-méthoxybenzyl)oxy]-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-(4-hydroxyphenyl)-, mono[(4-methoxyphenyl)methyl] ester, (2R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 191.0±23.6 °C
Index of Refraction: 1.603
Molar Refractivity: 81.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 237.3±3.0 cm3

Click to predict properties on the Chemicalize site


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