Basic information
- CAS
1026-15-9- Standard SMILES
O=c1cc(-c2ccccc2)oc2ccc(I)cc12- InChIKey
BTEVOEPAUFPGSG-UHFFFAOYSA-N- Molecular formula
- C15H9IO2
- Average molar mass
- 348.13 g/mol
- Monoisotopic mass
- 347.96473
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-iodo-2-phenyl-
- IUPAC
- 6-iodo-2-phenylchromen-4-one
Names & synonyms
1026-15-96-Iodo-2-phenyl-4H-chromen-4-one4H-1-Benzopyran-4-one, 6-iodo-2-phenyl-4h-1-benzopyran-4-one,6-iodo-2-phenyl-6-iodo-2-phenyl-chromen-4-oneDTXSID803327956-Iodo-2-phenyl-4H-1-benzopyran-4-one
Database identifiers
- CAS
1026-15-9- PubChem CID
- 466282
- DTXSID
DTXSID80332795
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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