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ScientificNameLabel
Propofol
PHCD compound ID : 3771
Chemical Names :
Propofol
Molecular Formula : C12H18O1
Molecular Weight : 178.135765
More Details :
Names & Synonyms: 2,6-diisopropylphenol , 2,6-di(propan-2-yl)phenol
Smiles: CC(c1cccc(c1O)C(C)C)C
InChi : InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChi Key : InChIKey=OLBCVFGFOZPWHH-UHFFFAOYSA-N
PubChem ID : 4943
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.856117
Hydrogen bond donor count : 1 Electric dipole moment : 1.391
XLogP : 3.244 VDW volume : 193.732666
Molecular weight : 178.135765 HOMO-LUMO gap : 9.147000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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