Found 42 results

Search term: MF = 'C_{21}H_{19}ClO_{2}'
ChemSpider 2D Image | (5R)-3-[(E)-2-(4-Chlorophenyl)vinyl]-5-(4-methoxyphenyl)-2-cyclohexen-1-one | C21H19ClO2

(5R)-3-[(E)-2-(4-Chlorophenyl)vinyl]-5-(4-methoxyphenyl)-2-cyclohexen-1-one

  • Molecular FormulaC21H19ClO2
  • Average mass338.827 Da
  • Monoisotopic mass338.107361 Da
  • ChemSpider ID26396187

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-3-[(1E)-2-(4-Chlorophenyl)ethenyl]-5-(4-methoxyphenyl)-2-cyclohexen-1-one
(5R)-3-[(E)-2-(4-Chlorophenyl)vinyl]-5-(4-methoxyphenyl)-2-cyclohexen-1-one [ACD/IUPAC Name]
(5R)-3-[(E)-2-(4-Chlorophényl)vinyl]-5-(4-méthoxyphényl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
(5R)-3-[(E)-2-(4-Chlorphenyl)vinyl]-5-(4-methoxyphenyl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
1222438-21-2 [RN]
2-Cyclohexen-1-one, 3-[(E)-2-(4-chlorophenyl)ethenyl]-5-(4-methoxyphenyl)-, (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: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 189.3±29.1 °C
Index of Refraction: 1.661
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2759.40
ACD/KOC (pH 5.5): 10104.87
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2759.40
ACD/KOC (pH 7.4): 10104.87
Polar Surface Area: 26 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 272.5±3.0 cm3

Click to predict properties on the Chemicalize site


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