2-(4-Chlorobenzoyl)-3H-naphtho[2,1-b]pyran-3-one
Basic information
- CAS
74556-37-9- Standard SMILES
O=C(c1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)oc1=O- InChIKey
WGCXSENKCBICRU-UHFFFAOYSA-N- Molecular formula
- C20H11ClO3
- Average molar mass
- 334.7 g/mol
- Monoisotopic mass
- 334.0396719
Names & identifiers
- Preferred name
- 2-(4-Chlorobenzoyl)-3H-naphtho[2,1-b]pyran-3-one
- IUPAC
- 2-(4-chlorobenzoyl)benzo[f]chromen-3-one
Names & synonyms
74556-37-9NSC3025602-(4-Chlorobenzoyl)-3H-naphtho[2,1-b]pyran-3-oneCHEMBL489928SCHEMBL2510780DTXSID20316352NSC-302560(4-chlorophenyl)(3-oxo-3h-benzo[f]chromen-2-yl)methanone
Database identifiers
- CAS
74556-37-9- PubChem CID
- 327433
- DTXSID
DTXSID20316352- ChEMBL
CHEMBL489928
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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