ChemSpider 2D Image | (3R,4S)-3-(2-Chlorophenyl)-3-ethyl-4-(4-methoxybenzoyl)-2-oxetanone | C19H17ClO4

(3R,4S)-3-(2-Chlorophenyl)-3-ethyl-4-(4-methoxybenzoyl)-2-oxetanone

  • Molecular FormulaC19H17ClO4
  • Average mass344.789 Da
  • Monoisotopic mass344.081543 Da
  • ChemSpider ID30658767

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-(2-Chlorophenyl)-3-ethyl-4-(4-methoxybenzoyl)-2-oxetanone [ACD/IUPAC Name]
(3R,4S)-3-(2-Chlorophényl)-3-éthyl-4-(4-méthoxybenzoyl)-2-oxêtanone [French] [ACD/IUPAC Name]
(3R,4S)-3-(2-Chlorphenyl)-3-ethyl-4-(4-methoxybenzoyl)-2-oxetanon [German] [ACD/IUPAC Name]
2-Oxetanone, 3-(2-chlorophenyl)-3-ethyl-4-(4-methoxybenzoyl)-, (3R,4S)- [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: 521.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 201.4±29.1 °C
Index of Refraction: 1.580
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 311.94
ACD/KOC (pH 5.5): 2122.58
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 311.94
ACD/KOC (pH 7.4): 2122.58
Polar Surface Area: 53 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 271.7±3.0 cm3

Click to predict properties on the Chemicalize site


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