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p-2-menthen-1-ol
ScientificNameLabel
p-2-menthen-1-ol
PHCD compound ID :
737
Chemical Names :
p-2-menthen-1-ol , cis-p-2-Menthen-1-ol
Molecular Formula :
C10H18O1
Molecular Weight :
154.135765
More Details :
Names & Synonyms:
(1R,4S)-4-tert-butylcyclohex-2-en-1-ol , (1R,4S)-4-tert-butyl-1-cyclohex-2-enol
Smiles:
O[C@@H]1CC[C@@H](C=C1)C(C)(C)C
InChi :
InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6,8-9,11H,5,7H2,1-3H3/t8-,9+/m1/s1
InChi Key :
InChIKey=NGXNAIZTJAUMGV-BDAKNGLRSA-N
PubChem ID :
6427100
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.906989
Hydrogen bond donor count :
1
Electric dipole moment :
2.646
XLogP :
3.266
VDW volume :
175.313614
Molecular weight :
154.135765
HOMO-LUMO gap :
10.788000
Herb list :
Carrot - Daucus carota - هویج
Fever few - Tanacetum parthenium - بابونه گاوی، مخلصه
Refrences & Litretures:
50. Journal:'Pharmaceutical Biology' Year:'2011' Volume:'49' Page:'920' DOI:'10.3109/13880209.2011.556650' Title:'Chemical composition, antibacterial activity and cytotoxicity of essential oils of Tanacetum parthenium in different developmental stages'
737. Journal:'Journal of Ethnopharmacology' Year:'2008' Volume:'119' Page:'129' DOI:'10.1016/j.jep.2008.06.012' Title:'Essential oil of Daucus carota subsp. halophilus: Composition, antifungal activity and cytotoxicity'
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