CHEBI:76357 - 2-tert-butyl-4-hydroxyanisole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-tert-butyl-4-hydroxyanisole
ChEBI ID CHEBI:76357
ChEBI ASCII Name 2-tert-butyl-4-hydroxyanisole
Definition An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the methoxy group is replaced by a tert-butyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H16O2
Net Charge 0
Average Mass 180.24350
Monoisotopic Mass 180.11503
InChI InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3
InChIKey IMOYOUMVYICGCA-UHFFFAOYSA-N
SMILES COc1ccc(O)cc1C(C)(C)C
ChEBI Ontology
Outgoing 2-tert-butyl-4-hydroxyanisole (CHEBI:76357) is a aromatic ether (CHEBI:35618)
2-tert-butyl-4-hydroxyanisole (CHEBI:76357) is a phenols (CHEBI:33853)
Incoming butylated hydroxyanisole (CHEBI:76359) has part 2-tert-butyl-4-hydroxyanisole (CHEBI:76357)
IUPAC Name
3-tert-butyl-4-methoxyphenol
Synonyms Sources
2-(1,1-dimethylethyl)-4-hydroxyanisole ChEBI
2-BHA ChEBI
2-tert-butyl-4-hydroxyanisole ChemIDplus
2-tert-butyl-p-hydroxyanisole ChEBI
3-(1,1-dimethylethyl)-4-methoxyphenol ChEBI
4-hydroxy-2-tert-butylanisole ChEBI
4-methoxy-3-tert-butylphenol ChEBI
4-methoxy-5-tert-butylphenol ChEBI
m-tert-butyl-p-methoxyphenol ChEBI
p-methoxy-m-tert-butylphenol ChEBI
Manual Xref Database
HMDB0031848 HMDB
View more database links
Registry Numbers Types Sources
2209222 Reaxys Registry Number Reaxys
88-32-4 CAS Registry Number NIST Chemistry WebBook
88-32-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
3201475 PubMed citation Europe PMC
458807 PubMed citation Europe PMC
7059997 PubMed citation Europe PMC
7285002 PubMed citation Europe PMC
7388831 PubMed citation Europe PMC
Last Modified
21 November 2013