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ScientificNameLabel
Phenol.2.4.6-trimethyl-
PHCD compound ID : 3782
Chemical Names :
Phenol.2.4.6-trimethyl-
Molecular Formula : C9H12O1
Molecular Weight : 136.088815
More Details :
Names & Synonyms: 2,4,6-trimethylphenol
Smiles: Cc1cc(C)c(c(c1)C)O
InChi : InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChi Key : InChIKey=BPRYUXCVCCNUFE-UHFFFAOYSA-N
PubChem ID : 10698
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.608566
Hydrogen bond donor count : 1 Electric dipole moment : 1.310
XLogP : 1.7 VDW volume : 141.844712
Molecular weight : 136.088815 HOMO-LUMO gap : 8.943000
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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