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ScientificNameLabel
1-Phenyl-1,4-butanediol
PHCD compound ID : 1923
Chemical Names :
1-Phenyl-1,4-butanediol
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: 1-phenylbutane-1,4-diol
Smiles: OCCC[C@@H](c1ccccc1)O
InChi : InChI=1S/C10H14O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-/m0/s1
InChi Key : InChIKey=OKWLUBCSBVYYTC-JTQLQIEISA-N
PubChem ID : 263851
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.554949
Hydrogen bond donor count : 2 Electric dipole moment : 2.272
XLogP : 0.703 VDW volume : 167.930924
Molecular weight : 166.09938 HOMO-LUMO gap : 9.780000
Herb list :
Refrences & Litretures:
  
226.      Journal:'Journal of Ethnopharmacology'      Year:'2008'      Volume:'119'      Page:'325'      DOI:'10.1016/j.jep.2008.07.023'      Title:'Antimicrobial activity and chemical composition of Mentha pulegium L. essential oil'
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