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ScientificNameLabel
3-tert-Butyl-4-hydroxyanisole
PHCD compound ID : 3737
Chemical Names :
3-tert-Butyl-4-hydroxyanisole
Molecular Formula : C11H16O2
Molecular Weight : 180.11503
More Details :
Names & Synonyms: 2-tert-butyl-4-methoxy-phenol , 2-tert-butyl-4-methoxyphenol
Smiles: COc1ccc(c(c1)C(C)(C)C)O
InChi : InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChi Key : InChIKey=MRBKEAMVRSLQPH-UHFFFAOYSA-N
PubChem ID : 8456
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.421859
Hydrogen bond donor count : 1 Electric dipole moment : 1.930
XLogP : 2.536 VDW volume : 185.226908
Molecular weight : 180.11503 HOMO-LUMO gap : 8.544000
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'
836.      Journal:'International Journal of ChemTech Research'      Year:'2010'      Volume:'2'      Page:'149'      DOI:''      Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
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