CHEBI:28708 - 3-isopropylcatechol

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ChEBI Name 3-isopropylcatechol ChEBI ID CHEBI:28708 Definition A member of the class of catechols that is catechol in which one of the hydrogens that is ortho to a hydroxy group has been replaced by an isopropyl group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1564, CHEBI:20093 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 C9H12O2 Net Charge 0 Average Mass 152.19040 Monoisotopic Mass 152.08373 InChI InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3 InChIKey XLZHGKDRKSKCAU-UHFFFAOYSA-N SMILES CC(C)c1cccc(O)c1O ChEBI Ontology Outgoing 3-isopropylcatechol (CHEBI:28708) is a catechols (CHEBI:33566) IUPAC Name 3-isopropylbenzene-1,2-diol Synonyms Sources 1,2-dihydroxy-3-isopropyl benzene ChEBI 3-(1-methylethyl)-1,2-benzenediol ChEBI 3-isopropylcatechol UniProt 3-isopropylpyrocatechol NIST Chemistry WebBook Manual Xrefs Databases C01014 KEGG COMPOUND CPD-14151 MetaCyc View more database links Registry Numbers Types Sources 2043545 Reaxys Registry Number Reaxys 2138-48-9 CAS Registry Number NIST Chemistry WebBook 2138-48-9 CAS Registry Number ChemIDplus Citations Types Sources 7811094 PubMed citation Europe PMC 8899984 PubMed citation Europe PMC Last Modified 26 March 2020