Basic information
- CAS
55813-81-5- Standard SMILES
Cc1ccc(O)c(C(=O)CC(C)C)c1- InChIKey
PQUXEPKDXMBZRM-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 1-(2-Hydroxy-5-methylphenyl)-3-methylbutan-1-one
- IUPAC
- 1-(2-hydroxy-5-methylphenyl)-3-methylbutan-1-one
- English name
- 1-Butanone, 1-(2-hydroxy-5-Methylphenyl)-3-Methyl-
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
1-(2-hydroxy-5-methylphenyl)-3-methylbutan-1-one55813-81-51-(2-hydroxy-5-methyl-phenyl)-3-methyl-butan-1-oneAKOS011666429EN300-12768981-(2-hydroxy-5-methylphenyl)-3-methyl-1-Butanone1-Butanone, 1-(2-hydroxy-5-Methylphenyl)-3-Methyl-
Database identifiers
- CAS
55813-81-5- PubChem CID
- 62379933
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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