Found 85 results

Search term: MF = 'C_{21}H_{22}O_{3}S'
ChemSpider 2D Image | (5R)-5-(3,4-Dimethoxyphenyl)-3-[4-(methylsulfanyl)phenyl]-2-cyclohexen-1-one | C21H22O3S

(5R)-5-(3,4-Dimethoxyphenyl)-3-[4-(methylsulfanyl)phenyl]-2-cyclohexen-1-one

  • Molecular FormulaC21H22O3S
  • Average mass354.463 Da
  • Monoisotopic mass354.128967 Da
  • ChemSpider ID26395395

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-(3,4-Dimethoxyphenyl)-3-[4-(methylsulfanyl)phenyl]-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(5R)-5-(3,4-Dimethoxyphenyl)-3-[4-(methylsulfanyl)phenyl]-2-cyclohexen-1-one [ACD/IUPAC Name]
(5R)-5-(3,4-Diméthoxyphényl)-3-[4-(méthylsulfanyl)phényl]-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 5-(3,4-dimethoxyphenyl)-3-[4-(methylthio)phenyl]-, (5R)- [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: 489.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 237.9±16.7 °C
Index of Refraction: 1.613
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1901.85
ACD/KOC (pH 5.5): 7741.61
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1901.85
ACD/KOC (pH 7.4): 7741.61
Polar Surface Area: 61 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 294.0±5.0 cm3

Click to predict properties on the Chemicalize site


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