ChemSpider 2D Image | methyl {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetate | C23H28O7

methyl {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetate

  • Molecular FormulaC23H28O7
  • Average mass416.464 Da
  • Monoisotopic mass416.183502 Da
  • ChemSpider ID23275063

More details:






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

{4-[3-(4-Acétyl-3-hydroxy-2-propylphénoxy)propoxy]phénoxy}acétate de méthyle [French] [ACD/IUPAC Name]
acetic acid, 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]-, methyl ester [ACD/Index Name]
methyl {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetate [ACD/IUPAC Name]
Methyl-{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetat [German] [ACD/IUPAC Name]
194608-82-7 [RN]
CHEMBL373785
methyl 2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy)phenoxy)acetate
Methyl 2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)-propoxy)phenoxy)acetate
MFCD22124530

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 191.1±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 112.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1363.22
ACD/KOC (pH 5.5): 6099.86
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1361.51
ACD/KOC (pH 7.4): 6092.17
Polar Surface Area: 91 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 354.6±3.0 cm3

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