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Search term: IGXPIJISPBGYJR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4S)-3-Hydroxy-1-[1-(4-methoxyphenyl)ethyl]-4-methyl-4-phenyl-2-azetidinone | C19H21NO3

(4S)-3-Hydroxy-1-[1-(4-methoxyphenyl)ethyl]-4-methyl-4-phenyl-2-azetidinone

  • Molecular FormulaC19H21NO3
  • Average mass311.375 Da
  • Monoisotopic mass311.152130 Da
  • ChemSpider ID30651058

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(4S)-3-Hydroxy-1-[1-(4-methoxyphenyl)ethyl]-4-methyl-4-phenyl-2-azetidinon [German] [ACD/IUPAC Name]
(4S)-3-Hydroxy-1-[1-(4-methoxyphenyl)ethyl]-4-methyl-4-phenyl-2-azetidinone [ACD/IUPAC Name]
(4S)-3-Hydroxy-1-[1-(4-méthoxyphényl)éthyl]-4-méthyl-4-phényl-2-azétidinone [French] [ACD/IUPAC Name]
2-Azetidinone, 3-hydroxy-1-[1-(4-methoxyphenyl)ethyl]-4-methyl-4-phenyl-, (4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 513.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.6±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.62
ACD/KOC (pH 5.5): 718.06
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.62
ACD/KOC (pH 7.4): 718.04
Polar Surface Area: 50 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 257.7±3.0 cm3

Click to predict properties on the Chemicalize site


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