EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16572 - 3-ethylcatechol

ChEBI IDCHEBI:16572
ChEBI Name3-ethylcatechol
Stars
DefinitionThe simplest member of the class of 3-ethylcatechols that is catechol bearing an ethyl substituent at position 3.
Secondary ChEBI IDsCHEBI:1500, CHEBI:11794, CHEBI:20015
Last Modified13 November 2017
DownloadsMolfile
FormulaC8H10O2
Net Charge0
Average Mass138.166
Monoisotopic Mass138.06808
SMILESCCc1cccc(O)c1O
InChIInChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3
InChIKeyUUCQGNWZASKXNN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-ethylcatechol (CHEBI:16572) is a 3-ethylcatechols (CHEBI:20016)
IUPAC Name 
3-ethylbenzene-1,2-diol
Synonyms  Source
3-EthylcatecholKEGG COMPOUND
2,3-DihydroxyethylbenzeneKEGG COMPOUND
3-Ethyl-benzene-1,2-diolKEGG COMPOUND
2,3-dihydroxyethylbenzeneChEBI
3-ethyl-benzene-1,2-diolChEBI
UniProt Name  Source
3-ethylcatecholUniProt
Manual XrefsDatabases
C06728KEGG COMPOUND
c0274UM-BBD
Registry NumbersSources
Reaxys:2326443Reaxys
CAS:933-99-3KEGG COMPOUND
CAS:933-99-3ChemIDplus