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2,4-di-t-butylphenol
PHCD compound ID : 1348
Chemical Names :
Phenol-2,4-bis(1,1-dimethyl ethyl) , 2,4-bis[1,1-dimethylethyl] phenol , 2,4-bis(1,1-dimethylethyl)-phenol , 2,4-di-tert-butylphenol , 2,4-bis-(1,1-dimethylethyl)-phenol , 2,4-di-t-butylphenol
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: 2,4-ditert-butylphenol
Smiles: Oc1ccc(cc1C(C)(C)C)C(C)(C)C
InChi : InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChi Key : InChIKey=ICKWICRCANNIBI-UHFFFAOYSA-N
PubChem ID : 7311
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.693220
Hydrogen bond donor count : 1 Electric dipole moment : 0.940
XLogP : 4.279 VDW volume : 228.324635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.007000
Herb list :
Refrences & Litretures:
  
145.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'645'      DOI:'10.1080/0972060X.2012.10644099'      Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'
245.      Journal:'The Pharma Innovation Journal'      Year:'2015'      Volume:'4'      Page:'90'      DOI:''      Title:'Chemical composition and antimalarial activity of extracts of Sudanese Tamarindus indica L. (Fabaceae)'
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
568.      Journal:'J. Essent. Oil Res'      Year:'2005'      Volume:'17'      Page:'312'      DOI:''      Title:'Essential Oils in the Leaves of Cocoa (Theobroma cacao L.) Clone UIT1 and NA33'
619.      Journal:'Iranian Journal of Plant Physiology'      Year:'2012'      Volume:'2'      Page:'339'      DOI:''      Title:'Investigating the chemical composition of different parts extracts of bipod nettle Urtica dioica L. in Tonekabon region'
972.      Journal:'Journal of Medicinal Plants Research'      Year:'2011'      Volume:'5'      Page:'6770'      DOI:'10.5897/JMPR11.1098'      Title:'Antibacterial and antimutagenic activity of extracts aboveground parts of three Solidago species: Solidago virgaurea L., Solidago canadensis L. and Solidago gigantea Ait'
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