Basic information
- CAS
26162-40-3- Standard SMILES
CC(=O)c1c(O)cc(C)n(Cc2ccccc2)c1=O- InChIKey
OCTSBGDMFHHREW-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 3-Acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one
- IUPAC
- 3-acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2-one
Names & synonyms
26162-40-33-Acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one3-acetyl-1-benzyl-4-hydroxy-6-methyl-2(1H)-pyridinoneSMR000077256NSC363845MLS000064609MLS000115699SCHEMBL2279827CHEMBL1480125DTXSID50715632HMS2440F10STL271676
Show more names
AKOS000535158AKOS002169512NSC-363845SDCCGMLS-0064468.P001ST070597AO-185/139590433-acetyl-1-benzyl-2-hydroxy-6-methylpyridin-4(1H)-one3-acetyl-4-hydroxy-6-methyl-2-oxo-1-benzylhydropyridine
Database identifiers
- CAS
26162-40-3- PubChem CID
- 54677461
- DTXSID
DTXSID50715632- ChEMBL
CHEMBL1480125- Nikkaji
- J2.885.200B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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