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ScientificNameLabel
2-tert-butyl-4-methylphenol
PHCD compound ID : 1919
Chemical Names :
2-tert-butyl-4-methylphenol
Molecular Formula : C11H16O1
Molecular Weight : 164.120115
More Details :
Names & Synonyms: 2-tert-butyl-4-methyl-phenol , 2-tert-butyl-4-methylphenol
Smiles: Cc1ccc(c(c1)C(C)(C)C)O
InChi : InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
InChi Key : InChIKey=IKEHOXWJQXIQAG-UHFFFAOYSA-N
PubChem ID : 17004
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.714356
Hydrogen bond donor count : 1 Electric dipole moment : 0.821
XLogP : 2.899 VDW volume : 176.436681
Molecular weight : 164.120115 HOMO-LUMO gap : 8.968000
Herb list :
Refrences & Litretures:
  
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
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