Secondary metabolite:2,4-Di-tert-butylphenol



EOCID000555
Summary

sCentInDB Chemical identifier: EOCID000555

Chemical name: 2,4-Di-tert-butylphenol

Molecular formula: C14H22O

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

InChIKey: ICKWICRCANNIBI-UHFFFAOYSA-N

Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass: Phenylpropanes

Synonymous chemical name(s):
2,4-di-tert-butylphenol, phenol, 2,4bis( 1,1dimethylethyl), phenol, 2,4-bis (1,1-dimethylethyl)-, 2,4-bis(1,1-dimethylethyl)- phenol, 2,4-di-tert.butyl-phenol

External chemical identifier(s):
CID:7311, CHEMBL29873, CHEBI:89188, CHEMSPIDER:7037, ZINC000001081075, FDASRS:FOB94G6HZT, MOLPORT:000-917-830, SURECHEMBL:SCHEMBL109921

Spectrabase ID: LSDYSl7Sjel

Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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