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ScientificNameLabel
Menthyl benzoate
PHCD compound ID : 4584
Chemical Names :
Menthyl benzoate
Molecular Formula : C17H24O2
Molecular Weight : 260.17763
More Details :
Names & Synonyms: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] benzoate , benzoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester , [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate , [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] benzoate , benzoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester
Smiles: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)c1ccccc1)C(C)C
InChi : InChI=1S/C17H24O2/c1-12(2)15-10-9-13(3)11-16(15)19-17(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t13-,15+,16-/m1/s1
InChi Key : InChIKey=TTYVYRHNIVBWCB-VNQPRFMTSA-N
PubChem ID : 170088
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.074749
Hydrogen bond donor count : 0 Electric dipole moment : 2.175
XLogP : 5.013 VDW volume : 274.009899
Molecular weight : 260.17763 HOMO-LUMO gap : 9.578000
Herb list :
Refrences & Litretures:
  
705.      Journal:'Phytother. Res'      Year:'2007'      Volume:'21'      Page:'501'      DOI:'10.1002/ptr.2124'      Title:'The Chemical Composition and Biological Activity of Clove Essential Oil, Eugenia caryophyllata (Syzigium aromaticum L. Myrtaceae): A Short Review'
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