3-Chloro-4-(diethylamino)-5-methyl-6-phenyl-2H-pyran-2-one
Basic information
- CAS
76312-42-0- Standard SMILES
CCN(CC)c1c(C)c(-c2ccccc2)oc(=O)c1Cl- InChIKey
DQOLRDQRHTVTBS-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- 3-Chloro-4-(diethylamino)-5-methyl-6-phenyl-2H-pyran-2-one
- IUPAC
- 3-chloro-4-(diethylamino)-5-methyl-6-phenylpyran-2-one
Names & synonyms
76312-42-0NSC335684DTXSID803187763-Chloro-4-(diethylamino)-5-methyl-6-phenyl-2H-pyran-2-oneNSC-335684DS-0047823-chloro-4-diethylamino-5-methyl-6-phenyl-pyran-2-one
Database identifiers
- CAS
76312-42-0- PubChem CID
- 333559
- DTXSID
DTXSID80318776
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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