ChemSpider 2D Image | Ethyl (3R)-3-acetoxy-3-[4-(benzyloxy)phenyl]propanoate | C20H22O5

Ethyl (3R)-3-acetoxy-3-[4-(benzyloxy)phenyl]propanoate

  • Molecular FormulaC20H22O5
  • Average mass342.386 Da
  • Monoisotopic mass342.146729 Da
  • ChemSpider ID25997185
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-Acétoxy-3-[4-(benzyloxy)phényl]propanoate d'éthyle [French] [ACD/IUPAC Name]
1303890-20-1 [RN]
Benzenepropanoic acid, β-(acetyloxy)-4-(phenylmethoxy)-, ethyl ester, (βR)- [ACD/Index Name]
ethyl (3R)-3-(acetyloxy)-3-[4-(benzyloxy)phenyl]propanoate
Ethyl (3R)-3-acetoxy-3-[4-(benzyloxy)phenyl]propanoate [ACD/IUPAC Name]
Ethyl-(3R)-3-acetoxy-3-[4-(benzyloxy)phenyl]propanoat [German] [ACD/IUPAC Name]
MFCD16547729 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 420.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 181.2±27.4 °C
Index of Refraction: 1.543
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 584.45
ACD/KOC (pH 5.5): 3326.90
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 584.45
ACD/KOC (pH 7.4): 3326.90
Polar Surface Area: 62 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 297.2±3.0 cm3

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