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CHEBI:142523 - tert-butyl 4-hydroxy-3-methoxybenzoate

ChEBI IDCHEBI:142523
ChEBI Nametert-butyl 4-hydroxy-3-methoxybenzoate
Stars
ASCII Nametert-butyl 4-hydroxy-3-methoxybenzoate
DefinitionA benzoate ester that is tert-butyl benzoate that carries a methoxy group at position 3 and a hydroxy group at position 4 of the phenyl ring.
Last Modified19 July 2022
SubmitterAdnan
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCOc1cc(C(=O)OC(C)(C)C)ccc1O
InChIInChI=1S/C12H16O4/c1-12(2,3)16-11(14)8-5-6-9(13)10(7-8)15-4/h5-7,13H,1-4H3
InChIKeyIMTKAHAECHVZFD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
tert-butyl 4-hydroxy-3-methoxybenzoate (CHEBI:142523) is a tert-butyl ester (CHEBI:140402)
tert-butyl 4-hydroxy-3-methoxybenzoate (CHEBI:142523) is a benzoate ester (CHEBI:36054)
tert-butyl 4-hydroxy-3-methoxybenzoate (CHEBI:142523) is a monomethoxybenzene (CHEBI:25235)
tert-butyl 4-hydroxy-3-methoxybenzoate (CHEBI:142523) is a phenols (CHEBI:33853)
IUPAC Name 
tert-butyl 4-hydroxy-3-methoxybenzoate
Synonyms  Source
4-hydroxy-3-methoxy-benzoic acid tert-butyl esterChEBI
3-methoxy-4-hydroxybenzoic acid tert-butyl esterChEBI
α-hibitakanineChEBI
Manual XrefsDatabases
US2005131019Patent
WO2005023762Patent
Registry NumbersSources
Reaxys:3265508Reaxys
Citations