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CHEBI:84225 - 2-(4-methoxyphenyl)propan-2-ol

ChEBI IDCHEBI:84225
ChEBI Name2-(4-methoxyphenyl)propan-2-ol
Stars
DefinitionA tertiary alcohol that is propan-2-ol substituted by a 4-methoxyphenyl group at position 2. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC10H14O2
Net Charge0
Average Mass166.220
Monoisotopic Mass166.09938
SMILESCOc1ccc(C(C)(C)O)cc1
InChIInChI=1S/C10H14O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4-7,11H,1-3H3
InChIKeyBFXOWZOXTDBCHP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-(4-methoxyphenyl)propan-2-ol (CHEBI:84225) has role human metabolite (CHEBI:77746)
2-(4-methoxyphenyl)propan-2-ol (CHEBI:84225) is a monomethoxybenzene (CHEBI:25235)
2-(4-methoxyphenyl)propan-2-ol (CHEBI:84225) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2-(4-methoxyphenyl)propan-2-ol
Synonym  Source
4-methoxy-α,α-dimethylbenzyl alcoholChemIDplus
Registry NumbersSources
Reaxys:2043337Reaxys
CAS:7428-99-1ChemIDplus
Citations