Skip Navigation Links
ScientificNameLabel
5-Isopropyl-3-methylphenol
PHCD compound ID : 879
Chemical Names :
5-Isopropyl-3-methylphenol
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 3-isopropyl-5-methyl-phenol , 3-methyl-5-propan-2-ylphenol , 3-methyl-5-propan-2-yl-phenol
Smiles: Cc1cc(O)cc(c1)C(C)C
InChi : InChI=1S/C10H14O/c1-7(2)9-4-8(3)5-10(11)6-9/h4-7,11H,1-3H3
InChi Key : InChIKey=ZDUIHRJGDMTBEX-UHFFFAOYSA-N
PubChem ID : 72855
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.989112
Hydrogen bond donor count : 1 Electric dipole moment : 1.766
XLogP : 2.698 VDW volume : 159.140697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.284000
Herb list :
Refrences & Litretures:
  
71.      Journal:'Food Chemistry'      Year:'2005'      Volume:'91'      Page:'131'      DOI:'10.1016/j.foodchem.2004.05.056'      Title:'Identi?cation of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us