EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:59074 - 3-methyleugenol

ChEBI IDCHEBI:59074
ChEBI Name3-methyleugenol
Stars
DefinitionA phenylpropanoid consisting of eugenol having a methyl substituent at the 3-position.
Last Modified7 April 2016
Submitterzjosephs
DownloadsMolfile
FormulaC11H14O2
Net Charge0
Average Mass178.231
Monoisotopic Mass178.09938
SMILESC=CCc1ccc(O)c(OC)c1C
InChIInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12)11(13-3)8(9)2/h4,6-7,12H,1,5H2,2-3H3
InChIKeyAJDXXCWZGWECKS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-methyleugenol (CHEBI:59074) has functional parent eugenol (CHEBI:4917)
3-methyleugenol (CHEBI:59074) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
2-methoxy-3-methyl-4-(2-propen-1-yl)-phenol
Synonyms  Source
4-allyl-2-methoxy-3-methylphenolIUPAC
2-hydroxy-6-methyl-5-allylanisoleChEBI
o-methoxy-m-methyl-p-allylphenolChEBI
4-allyl-2-methoxy-3-methyl-phenolChEBI
Manual XrefsDatabases
US4277364Patent
Registry NumbersSources
Reaxys:8833747Reaxys
Citations