Skip Navigation Links
ScientificNameLabel
2-Isopropyl-1-methoxy-4-methylbenzene
PHCD compound ID : 893
Chemical Names :
2-Isopropyl-1-methoxy-4-methylbenzene , benzene,1-methoxy-4-methyl-2-(1-methylethyl)
Molecular Formula : C11H16O1
Molecular Weight : 164.120115
More Details :
Names & Synonyms: 2-isopropyl-1-methoxy-4-methyl-benzene , 1-methoxy-4-methyl-2-propan-2-ylbenzene , 1-methoxy-4-methyl-2-propan-2-yl-benzene
Smiles: COc1ccc(cc1C(C)C)C
InChi : InChI=1S/C11H16O/c1-8(2)10-7-9(3)5-6-11(10)12-4/h5-8H,1-4H3
InChi Key : InChIKey=CVUAHQAQHICPSF-UHFFFAOYSA-N
PubChem ID : 161716
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.528518
Hydrogen bond donor count : 0 Electric dipole moment : 0.732
XLogP : 2.808 VDW volume : 176.436681
Molecular weight : 164.120115 HOMO-LUMO gap : 8.905000
Herb list :
Refrences & Litretures:
  
73.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'3034'      DOI:'10.1002/jssc.200900214'      Title:'Static and dynamic superheated water extraction of essential oil components fromThymus vulgaris L'
674.      Journal:'Rev Bras Farmacogn'      Year:'2014'      Volume:'24'      Page:'25'      DOI:'10.1590/0102-695X2014241434'      Title:'Analysis of essential oils of Origanum vulgare from six production areas of China and Pakistan'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us