ChemSpider 2D Image | (2Z)-2-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-1-benzothiophen-3(2H)-one | C23H26O2S

(2Z)-2-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-1-benzothiophen-3(2H)-one

  • Molecular FormulaC23H26O2S
  • Average mass366.516 Da
  • Monoisotopic mass366.165344 Da
  • ChemSpider ID79868933

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzyliden]-1-benzothiophen-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-2-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-1-benzothiophen-3(2H)-one [ACD/IUPAC Name]
(2Z)-2-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)benzylidène]-1-benzothiophén-3(2H)-one [French] [ACD/IUPAC Name]
Benzo[b]thiophen-3(2H)-one, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, (2Z)- [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: 477.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 242.4±28.7 °C
Index of Refraction: 1.628
Molar Refractivity: 111.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42058.54
ACD/KOC (pH 5.5): 71012.77
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42021.66
ACD/KOC (pH 7.4): 70950.51
Polar Surface Area: 63 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 314.1±3.0 cm3

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