Skip Navigation Links
ScientificNameLabel
4-(1,dimethylethyl)-benzenemethanol
PHCD compound ID : 3345
Chemical Names :
4-(1,dimethylethyl)-benzenemethanol
Molecular Formula : C11H16O1
Molecular Weight : 164.120115
More Details :
Names & Synonyms: (4-tert-butylphenyl)methanol
Smiles: OCc1ccc(cc1)C(C)(C)C
InChi : InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChi Key : InChIKey=FVEINXLJOJPHLH-UHFFFAOYSA-N
PubChem ID : 13416
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.355263
Hydrogen bond donor count : 1 Electric dipole moment : 2.329
XLogP : 2.365 VDW volume : 176.436681
Molecular weight : 164.120115 HOMO-LUMO gap : 9.553000
Herb list :
Refrences & Litretures:
  
454.      Journal:'Scientific World'      Year:'2012'      Volume:'10'      Page:'13'      DOI:'10.3126/sw.v10i10.6854'      Title:'Quality assessment of the essential oils from Nardostachys jatamansi (d. Don) dc and Nardostachys chinensis batal obtained from Kathmandu valley market'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us