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ScientificNameLabel
p-Propyylanisole
PHCD compound ID : 2583
Chemical Names :
p-Propyylanisole
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 1-methoxy-4-propyl-benzene , 1-methoxy-4-propylbenzene
Smiles: CCCc1ccc(cc1)OC
InChi : InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
InChi Key : InChIKey=KBHWKXNXTURZCD-UHFFFAOYSA-N
PubChem ID : 7702
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.714108
Hydrogen bond donor count : 0 Electric dipole moment : 1.330
XLogP : 2.692 VDW volume : 159.140697
Molecular weight : 150.104465 HOMO-LUMO gap : 8.969000
Herb list :
Refrences & Litretures:
  
300.      Journal:'Natural Product Research'      Year:'2010'      Volume:'24'      Page:'1704'      DOI:'10.1080/14786410902884933'      Title:'Phytochemical analysis and allelopathic activity of essential oils of Ecballium elaterium A. Richard growing in Iran'
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