CHEBI:172413 - 2-Isopropyl-1,4-benzenediol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Isopropyl-1,4-benzenediol
ChEBI ID CHEBI:172413
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H12O2
Net Charge 0
Average Mass 152.193
Monoisotopic Mass 152.08373
InChI InChI=1S/C9H12O2/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,10-11H,1-2H3
InChIKey HIGSPBFIOSHWQG-UHFFFAOYSA-N
SMILES OC1=C(C(C)C)C=C(O)C=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Isopropyl-1,4-benzenediol (CHEBI:172413) is a alkylbenzene (CHEBI:38976)
IUPAC Name
2-propan-2-ylbenzene-1,4-diol
Manual Xrefs Databases
67905 ChemSpider
HMDB0032132 HMDB
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Registry Number Type Source
2349-71-5 CAS Registry Number ChemIDplus