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

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ChEBI Name tert-butyl 4-hydroxy-3-methoxybenzoate ChEBI ID CHEBI:142523 ChEBI ASCII Name tert-butyl 4-hydroxy-3-methoxybenzoate Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H16O4 Net Charge 0 Average Mass 224.254 Monoisotopic Mass 224.10486 InChI InChI=1S/C12H16O4/c1-12(2,3)16-11(14)8-5-6-9(13)10(7-8)15-4/h5-7,13H,1-4H3 InChIKey IMTKAHAECHVZFD-UHFFFAOYSA-N SMILES C=1(C(=CC(=CC1)C(OC(C)(C)C)=O)OC)O ChEBI Ontology Outgoing 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 Sources 3-methoxy-4-hydroxybenzoic acid tert-butyl ester ChEBI 4-hydroxy-3-methoxy-benzoic acid tert-butyl ester ChEBI α-hibitakanine ChEBI Manual Xrefs Databases US2005131019 Patent WO2005023762 Patent View more database links Registry Number Type Source 3265508 Reaxys Registry Number Reaxys Citation Type Source 29900664 PubMed citation Europe PMC Last Modified 19 July 2022