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CHEBI:28708 - 3-isopropylcatechol

Default Structure
ChEBI IDCHEBI:28708
ChEBI Name3-isopropylcatechol
Stars
DefinitionA member of the class of catechols that is catechol in which one of the hydrogens that is ortho to a hydroxy group has been replaced by an isopropyl group.
Secondary ChEBI IDsCHEBI:1564, CHEBI:20093
Last Modified26 March 2020
DownloadsMolfile
FormulaC9H12O2
Net Charge0
Average Mass152.193
Monoisotopic Mass152.08373
SMILESCC(C)c1cccc(O)c1O
InChIInChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3
InChIKeyXLZHGKDRKSKCAU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-isopropylcatechol (CHEBI:28708) is a catechols (CHEBI:33566)
IUPAC Name 
3-isopropylbenzene-1,2-diol
Synonyms  Source
1,2-dihydroxy-3-isopropyl benzeneChEBI
3-(1-methylethyl)-1,2-benzenediolChEBI
3-isopropylpyrocatecholNIST Chemistry WebBook
UniProt Name  Source
3-isopropylcatecholUniProt
Manual XrefsDatabases
C01014KEGG COMPOUND
CPD-14151MetaCyc
Registry NumbersSources
Reaxys:2043545Reaxys
CAS:2138-48-9ChemIDplus
CAS:2138-48-9NIST Chemistry WebBook
CAS:2138-48-9KEGG COMPOUND
Citations