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ScientificNameLabel
Phenol-3,5-bis(1,1-dimethylethyl)-
PHCD compound ID : 4573
Chemical Names :
Phenol-3,5-bis(1,1-dimethylethyl)-
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: 3,5-ditert-butylphenol
Smiles: Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C
InChi : InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3
InChi Key : InChIKey=ZDWSNKPLZUXBPE-UHFFFAOYSA-N
PubChem ID : 70825
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.884925
Hydrogen bond donor count : 1 Electric dipole moment : 1.666
XLogP : 4.49 VDW volume : 228.324635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.262000
Herb list :
Refrences & Litretures:
  
703.      Journal:'BioMed Research International'      Year:'2013'      Volume:'2013'      Page:'1'      DOI:'10.1155/2013/696835'      Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
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