ChemSpider 2D Image | 2-({4-Hydroxy-3,5-dimethylphenyl}(phenyl)methyl)cyclohex-2-enone | C21H22O2

2-({4-Hydroxy-3,5-dimethylphenyl}(phenyl)methyl)cyclohex-2-enone

  • Molecular FormulaC21H22O2
  • Average mass306.398 Da
  • Monoisotopic mass306.161987 Da
  • ChemSpider ID25938425

More details:

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

2-({4-Hydroxy-3,5-dimethylphenyl}(phenyl)methyl)cyclohex-2-enone
2-[(4-Hydroxy-3,5-dimethylphenyl)(phenyl)methyl]-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2-[(4-Hydroxy-3,5-dimethylphenyl)(phenyl)methyl]-2-cyclohexen-1-one [ACD/IUPAC Name]
2-[(4-Hydroxy-3,5-diméthylphényl)(phényl)méthyl]-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2-[(4-hydroxy-3,5-dimethylphenyl)phenylmethyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 484.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 205.7±21.0 °C
Index of Refraction: 1.608
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1483.88
ACD/KOC (pH 5.5): 6481.64
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1482.55
ACD/KOC (pH 7.4): 6475.81
Polar Surface Area: 37 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 267.4±3.0 cm3

Click to predict properties on the Chemicalize site


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