CHEBI:28708 - 3-isopropylcatechol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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A member of the class of catechols that is catechol in which one of the hydrogens that is ortho to a hydroxy group has been replaced by an isopropyl group.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
Formula C9H12O2
Net Charge 0
Average Mass 152.19040
Monoisotopic Mass 152.084
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-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 Waiting for Citations Types Sources
7811094 PubMed citation Europe PMC
8899984 PubMed citation Europe PMC
Last Modified
29 April 2015