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Search term: CIXADHNQIHMLIL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4-Hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone | C18H16O3

(4-Hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone

  • Molecular FormulaC18H16O3
  • Average mass280.318 Da
  • Monoisotopic mass280.109955 Da
  • ChemSpider ID35033507

More details:

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

(4-Hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanon [German] [ACD/IUPAC Name]
(4-Hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone [ACD/IUPAC Name]
(4-Hydroxy-3,5-diméthylphényl)(2-méthyl-1-benzofuran-3-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, (4-hydroxy-3,5-dimethylphenyl)(2-methyl-3-benzofuranyl)- [ACD/Index Name]
0XV

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

Density: 1.2±0.1 g/cm3
Boiling Point: 452.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 227.5±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1027.71
ACD/KOC (pH 5.5): 4981.34
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 937.81
ACD/KOC (pH 7.4): 4545.60
Polar Surface Area: 50 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 231.7±3.0 cm3

Click to predict properties on the Chemicalize site


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