6-Methyl-4-(4-methylphenyl)-2H-pyran-2-one
Basic information
- CAS
515877-12-0- Standard SMILES
Cc1ccc(-c2cc(C)oc(=O)c2)cc1- InChIKey
PVXIUKAJHXXJPO-UHFFFAOYSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.08372962
Names & identifiers
- Preferred name
- 6-Methyl-4-(4-methylphenyl)-2H-pyran-2-one
- IUPAC
- 6-methyl-4-(4-methylphenyl)pyran-2-one
Names & synonyms
6-Methyl-4-(4-methylphenyl)-2H-pyran-2-one515877-12-0CHEMBL325381DTXSID00580231
Database identifiers
- CAS
515877-12-0- PubChem CID
- 15947423
- DTXSID
DTXSID00580231- ChEMBL
CHEMBL325381- Nikkaji
- J1.828.855I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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