Basic information
- CAS
127956-55-2- Standard SMILES
O=c1c(Cc2ccc(Cl)cc2)coc2ccccc12- InChIKey
FMUHBSUGWDSJFZ-UHFFFAOYSA-N- Molecular formula
- C16H11ClO2
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.0447573
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 3-[(4-chlorophenyl)methyl]-
- IUPAC
- 3-[(4-chlorophenyl)methyl]chromen-4-one
Names & synonyms
127956-55-24H-1-Benzopyran-4-one, 3-[(4-chlorophenyl)methyl]-3-(4-Chlorobenzyl)-4H-chromen-4-one3-[(4-chlorophenyl)methyl]-4H-chromen-4-one3-[(4-chlorophenyl)methyl]chromen-4-oneNSC609803CHEMBL1766617DTXSID00326696NSC-6098033-[(4-Chlorophenyl)methyl]-4H-1-benzopyran-4-one
Database identifiers
- CAS
127956-55-2- PubChem CID
- 355694
- DTXSID
DTXSID00326696- ChEMBL
CHEMBL1766617- Nikkaji
- J1.692.206D、J534.796C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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