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ScientificNameLabel
2-Methoxy-6-(2-propyl)-phenol
PHCD compound ID : 5402
Chemical Names :
2-Methoxy-6-(2-propyl)-phenol
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: 2-isopropyl-6-methoxy-phenol , 2-methoxy-6-propan-2-ylphenol , 2-methoxy-6-propan-2-yl-phenol
Smiles: COc1cccc(c1O)C(C)C
InChi : InChI=1S/C10H14O2/c1-7(2)8-5-4-6-9(12-3)10(8)11/h4-7,11H,1-3H3
InChi Key : InChIKey=UVWJLHYLMSDQAK-UHFFFAOYSA-N
PubChem ID : 12521284
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.530537
Hydrogen bond donor count : 1 Electric dipole moment : 2.427
XLogP : 2.124 VDW volume : 167.930924
Molecular weight : 166.09938 HOMO-LUMO gap : 8.757000
Herb list :
Refrences & Litretures:
  
890.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'126'      DOI:'10.1007/s10600-011-9854-z'      Title:'GC-MS analysis of chemical composition of Sambucus ebulus leaves'
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