Skip Navigation Links
ScientificNameLabel
alpha-Methyl-benzene ethanol
PHCD compound ID : 5528
Chemical Names :
alpha-Methyl-benzene ethanol
Molecular Formula : C9H12O1
Molecular Weight : 136.088815
More Details :
Names & Synonyms: 1-phenylpropan-2-ol , 1-phenyl-2-propanol
Smiles: C[C@@H](Cc1ccccc1)O
InChi : InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1
InChi Key : InChIKey=WYTRYIUQUDTGSX-QMMMGPOBSA-N
PubChem ID : 94185
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.368608
Hydrogen bond donor count : 1 Electric dipole moment : 2.119
XLogP : 1.633 VDW volume : 141.844712
Molecular weight : 136.088815 HOMO-LUMO gap : 9.762000
Herb list :
Refrences & Litretures:
  
932.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'91'      DOI:'10.1007/s10600-009-9244-y'      Title:'Composition of essential oils of Viola tricolor and V. arvensis from Romania'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us