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Phenol,bis(1,1-dimethylethyl)
PHCD compound ID : 1786
Chemical Names :
Phenol,bis(1,1-dimethylethyl)
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: 2,6-ditert-butylphenol
Smiles: CC(c1cccc(c1O)C(C)(C)C)(C)C
InChi : InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
InChi Key : InChIKey=DKCPKDPYUFEZCP-UHFFFAOYSA-N
PubChem ID : 31405
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.732880
Hydrogen bond donor count : 1 Electric dipole moment : 1.679
XLogP : 4.068 VDW volume : 228.324635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.104000
Herb list :
Refrences & Litretures:
  
202.      Journal:'Biotech Health Sci'      Year:'2015'      Volume:'2'      Page:'e26797'      DOI:'10.17795/bhs-26797'      Title:'Biological Properties of Vitex agnus-castus Essential Oil (Phytochemical Component, Antioxidant and Antifungal Activity)'
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