ChemSpider 2D Image | 5-[(4'-tert-butylbiphenyl-4-yl)methyl]-4-hydroxy-3,5-dimethylthiophen-2(5H)-one | C23H26O2S

5-[(4'-tert-butylbiphenyl-4-yl)methyl]-4-hydroxy-3,5-dimethylthiophen-2(5H)-one

  • Molecular FormulaC23H26O2S
  • Average mass366.516 Da
  • Monoisotopic mass366.165344 Da
  • ChemSpider ID23203650

More details:

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

2(5H)-thiophenone, 5-[[4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-yl]methyl]-4-hydroxy-3,5-dimethyl- [ACD/Index Name]
4-Hydroxy-3,5-dimethyl-5-{[4'-(2-methyl-2-propanyl)-4-biphenylyl]methyl}-2(5H)-thiophenon [German] [ACD/IUPAC Name]
4-Hydroxy-3,5-dimethyl-5-{[4'-(2-methyl-2-propanyl)-4-biphenylyl]methyl}-2(5H)-thiophenone [ACD/IUPAC Name]
4-Hydroxy-3,5-diméthyl-5-{[4'-(2-méthyl-2-propanyl)-4-biphénylyl]méthyl}-2(5H)-thiophénone [French] [ACD/IUPAC Name]
5-[(4'-tert-butylbiphenyl-4-yl)methyl]-4-hydroxy-3,5-dimethylthiophen-2(5H)-one
5-(4'-tert-Butyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 506.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.4±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 2461.22
ACD/KOC (pH 5.5): 4714.07
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 42.46
ACD/KOC (pH 7.4): 81.32
Polar Surface Area: 63 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 319.6±3.0 cm3

Click to predict properties on the Chemicalize site


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