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5-Pentadecyl-1,3 benzenediol
PHCD compound ID : 2416
Chemical Names :
5-Pentadecyl-1,3 benzenediol
Molecular Formula : C21H36O2
Molecular Weight : 320.27153
More Details :
Names & Synonyms: 5-pentadecylbenzene-1,3-diol , 5-pentadecylresorcinol
Smiles: CCCCCCCCCCCCCCCc1cc(O)cc(c1)O
InChi : InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
InChi Key : InChIKey=KVVSCMOUFCNCGX-UHFFFAOYSA-N
PubChem ID : 76617
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.208885
Hydrogen bond donor count : 2 Electric dipole moment : 3.052
XLogP : 8.907 VDW volume : 358.186754
Molecular weight : 320.27153 HOMO-LUMO gap : 9.419000
Herb list :
Refrences & Litretures:
  
269.      Journal:'Zeitschrift fur Naturforschung C'      Year:'1998'      Volume:'53'      Page:'811'      DOI:''      Title:'Chemical Constituents from Shoots of Hordeum vulgare Infested by the Aphid Schizaphis graminum'
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