Basic information
- CAS
86618-70-4- Standard SMILES
Cc1cc(C)n(-c2ccc(-c3cc(=O)c4ccccc4o3)cc2)n1- InChIKey
QRKBKENSSJUTMY-UHFFFAOYSA-N- Molecular formula
- C20H16N2O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12117776
Names & identifiers
- Preferred name
- 2-(4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4H-chromen-4-one
- IUPAC
- 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]chromen-4-one
Names & synonyms
86618-70-42-(4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4H-chromen-4-one2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-4H-chromen-4-oneNSC6000614H-1-Benzopyran-4-one, 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-DTXSID60326531NSC-6000612-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl]-4H-1-benzopyran-4-one
Database identifiers
- CAS
86618-70-4- PubChem CID
- 353044
- DTXSID
DTXSID60326531
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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