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CHEBI:34656 - cumene

Default Structure
ChEBI IDCHEBI:34656
ChEBI Namecumene
Stars
DefinitionAn alkylbenzene that is benzene carrying an isopropyl group.
Last Modified8 January 2021
DownloadsMolfile
FormulaC9H12
Net Charge0
Average Mass120.195
Monoisotopic Mass120.09390
SMILESCC(C)c1ccccc1
InChIInChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyRWGFKTVRMDUZSP-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
cumene (CHEBI:34656) is a alkylbenzene (CHEBI:38976)
Incoming Relation(s)
2-isopropylphenol (CHEBI:38506) has parent hydride cumene (CHEBI:34656)
2-phenyl-1,2-propanediol (CHEBI:131360) has parent hydride cumene (CHEBI:34656)
2-phenylpropan-2-ol (CHEBI:131607) has parent hydride cumene (CHEBI:34656)
4-isopropylphenol (CHEBI:167172) has parent hydride cumene (CHEBI:34656)
cumene hydroperoxide (CHEBI:78673) has parent hydride cumene (CHEBI:34656)
cuminaldehyde (CHEBI:28671) has parent hydride cumene (CHEBI:34656)
IUPAC Name 
(propan-2-yl)benzene
Synonyms  Source
(1-Methylethyl)benzeneChemIDplus
2-PhenylpropaneChemIDplus
CumeneKEGG COMPOUND
IsopropylbenzeneKEGG COMPOUND
Manual XrefsDatabases
C14396KEGG COMPOUND
CPD0-2360MetaCyc
CumeneWikipedia
HMDB0034029HMDB
KR20140001929Patent
Registry NumbersSources
Reaxys:1236613Reaxys
CAS:98-82-8KEGG COMPOUND
CAS:98-82-8ChemIDplus
Citations