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2.4-Dimethyl-6-tert-butylphenol
PHCD compound ID : 3728
Chemical Names :
2.4-Dimethyl-6-tert-butylphenol
Molecular Formula : C12H18O1
Molecular Weight : 178.135765
More Details :
Names & Synonyms: 2-tert-butyl-4,6-dimethyl-phenol , 2-tert-butyl-4,6-dimethylphenol
Smiles: Cc1cc(C)c(c(c1)C(C)(C)C)O
InChi : InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3
InChi Key : InChIKey=OPLCSTZDXXUYDU-UHFFFAOYSA-N
PubChem ID : 15884
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.576490
Hydrogen bond donor count : 1 Electric dipole moment : 1.287
XLogP : 3.08 VDW volume : 193.732666
Molecular weight : 178.135765 HOMO-LUMO gap : 8.940000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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