ChemSpider 2D Image | 1-[(1R,2S,3S,4S)-3-(4-Methoxyphenyl)bicyclo[2.2.1]hept-5-en-2-yl]-2-[(4-methylphenyl)sulfonyl]ethanone | C23H24O4S

1-[(1R,2S,3S,4S)-3-(4-Methoxyphenyl)bicyclo[2.2.1]hept-5-en-2-yl]-2-[(4-methylphenyl)sulfonyl]ethanone

  • Molecular FormulaC23H24O4S
  • Average mass396.499 Da
  • Monoisotopic mass396.139526 Da
  • ChemSpider ID30658721

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(1R,2S,3S,4S)-3-(4-Methoxyphenyl)bicyclo[2.2.1]hept-5-en-2-yl]-2-[(4-methylphenyl)sulfonyl]ethanon [German] [ACD/IUPAC Name]
1-[(1R,2S,3S,4S)-3-(4-Methoxyphenyl)bicyclo[2.2.1]hept-5-en-2-yl]-2-[(4-methylphenyl)sulfonyl]ethanone [ACD/IUPAC Name]
1-[(1R,2S,3S,4S)-3-(4-Méthoxyphényl)bicyclo[2.2.1]hept-5-én-2-yl]-2-[(4-méthylphényl)sulfonyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(1R,2S,3S,4S)-3-(4-methoxyphenyl)bicyclo[2.2.1]hept-5-en-2-yl]-2-[(4-methylphenyl)sulfonyl]- [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: 578.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.8±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.20
ACD/KOC (pH 5.5): 1166.68
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.20
ACD/KOC (pH 7.4): 1166.68
Polar Surface Area: 69 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 320.4±3.0 cm3

Click to predict properties on the Chemicalize site


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