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ScientificNameLabel
Isothymol
PHCD compound ID : 5406
Chemical Names :
Isothymol
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 2-isopropyl-4-methyl-phenol , 4-methyl-2-propan-2-ylphenol , 4-methyl-2-propan-2-yl-phenol
Smiles: Cc1ccc(c(c1)C(C)C)O
InChi : InChI=1S/C10H14O/c1-7(2)9-6-8(3)4-5-10(9)11/h4-7,11H,1-3H3
InChi Key : InChIKey=DSTPUJAJSXTJHM-UHFFFAOYSA-N
PubChem ID : 78153
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.748240
Hydrogen bond donor count : 1 Electric dipole moment : 0.967
XLogP : 2.487 VDW volume : 159.140697
Molecular weight : 150.104465 HOMO-LUMO gap : 8.975000
Herb list :
Refrences & Litretures:
  
894.      Journal:'Natural Product Research: Formerly Natural Product Letters'      Year:'2003'      Volume:'17'      Page:'189'      DOI:'10.1080/1057563021000040790'      Title:'GC-MS Analysis and Bioactivity Testing of the Volatile Oil from the Leaves of the Toothbrush Tree Salvadora persica L'
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