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CHEBI:27607 - thymol
| Formula | C10H14O |
| Net Charge | 0 |
| Average Mass | 150.221 |
| Monoisotopic Mass | 150.10447 |
| SMILES | Cc1ccc(C(C)C)c(O)c1 |
| InChI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
| InChIKey | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| thymol (CHEBI:27607) has parent hydride p-cymene (CHEBI:28768) |
| thymol (CHEBI:27607) has role volatile oil component (CHEBI:27311) |
| thymol (CHEBI:27607) is a monoterpenoid (CHEBI:25409) |
| thymol (CHEBI:27607) is a phenols (CHEBI:33853) |
| Incoming Relation(s) |
| thymol sulfate (CHEBI:82911) has functional parent thymol (CHEBI:27607) |
| thymol sulfate(1−) (CHEBI:133663) has functional parent thymol (CHEBI:27607) |
| IUPAC Name |
|---|
| 5-methyl-2-(propan-2-yl)phenol |
| Synonyms | Source |
|---|---|
| Thymol | KEGG COMPOUND |
| 6-isopropyl-3-methylphenol | NIST Chemistry WebBook |
| 5-methyl-2-isopropylphenol | NIST Chemistry WebBook |
| 5-METHYL-2-(1-METHYLETHYL)PHENOL | PDBeChem |
| 1-hydroxy-5-methyl-2-isopropylbenzene | ChemIDplus |
| 2-isopropyl-5-methylphenol | ChemIDplus |
| UniProt Name | Source |
|---|---|
| thymol | UniProt |