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2,5-dimetoxy-p-Cymene
PHCD compound ID : 2122
Chemical Names :
2,5-Dimethoxy-para-cymene , 4-hydroxythymol dimethyl ether , 2,5-dimetoxy-p-Cymene , 2,5-dimethoxy-p-cymene , Thymohydroquinone dimethylether
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: 1-isopropyl-2,5-dimethoxy-4-methyl-benzene , 1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene , 1,4-dimethoxy-2-methyl-5-propan-2-yl-benzene
Smiles: COc1cc(C(C)C)c(cc1C)OC
InChi : InChI=1S/C12H18O2/c1-8(2)10-7-11(13-4)9(3)6-12(10)14-5/h6-8H,1-5H3
InChi Key : InChIKey=VTRMVHBUTNPBTP-UHFFFAOYSA-N
PubChem ID : 6427071
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.088267
Hydrogen bond donor count : 0 Electric dipole moment : 0.187
XLogP : 2.626 VDW volume : 202.522893
Molecular weight : 194.13068 HOMO-LUMO gap : 8.418000
Herb list :
Refrences & Litretures:
  
252.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'39'      Page:'177'      DOI:'10.1016/j.indcrop.2012.02.030'      Title:'Rhizome and root yield of the cultivated Arnica montana L., chemical composition and histochemical localization of essential oil'
254.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'23'      Page:'91'      DOI:'10.1080/10412905.2011.9700432'      Title:'Constituents of the Essential Oil from Hairy Roots and Plant Roots of Arnica montana L'
255.      Journal:'chemija'      Year:'2009'      Volume:'20'      Page:'190'      DOI:''      Title:'Analysis of the chemical composition of fower essential oils from Arnica montana of Lithuanian origin'
451.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'397'      DOI:'10.1080/10412905.2004.9698753'      Title:'Essential Oil of Valeriana officinalis L. s.l. Growing Wild in Western Serbia'
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
458.      Journal:'J Food Sci Technol'      Year:'2010'      Volume:'47'      Page:'598'      DOI:'10.1007/s13197-010-0109-y'      Title:'Chemical composition of Nigella sativa L. seed extracts obtained by supercritical carbon dioxide'
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