Skip Navigation Links
ScientificNameLabel
3-Methylphenol
PHCD compound ID : 3938
Chemical Names :
3-Methylphenol
Molecular Formula : C7H8O1
Molecular Weight : 108.057515
More Details :
Names & Synonyms: m-cresol , 3-methylphenol
Smiles: Cc1cccc(c1)O
InChi : InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChi Key : InChIKey=RLSSMJSEOOYNOY-UHFFFAOYSA-N
PubChem ID : 342
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.135798
Hydrogen bond donor count : 1 Electric dipole moment : 0.928
XLogP : 1.338 VDW volume : 107.252743
Molecular weight : 108.057515 HOMO-LUMO gap : 9.305000
Herb list :
Refrences & Litretures:
  
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us