Basic information
- CAS
1033-44-9- Standard SMILES
COc1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1- InChIKey
BYDBCAPACOXVEH-UHFFFAOYSA-N- Molecular formula
- C16H11IO3
- Average molar mass
- 378.16 g/mol
- Monoisotopic mass
- 377.97529
Names & identifiers
- Preferred name
- 6-Iodo-4'-methoxyflavone
- IUPAC
- 6-iodo-2-(4-methoxyphenyl)chromen-4-one
Names & synonyms
6CH7VVC67L1033-44-9UNII-6CH7VVC67LCHEMBL2240646-Iodanyl-2-(4-methoxyphenyl)chromen-4-one6-Iodo-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 6-iodo-2-(4-methoxyphenyl)-6-iodo-4'-methoxyflavone6-iodo-2-(4-methoxyphenyl)chromen-4-one6-iodo-4''-methoxyflavone4'-Methoxy-6-iodoflavanone4h-1-benzopyran-4-one,6-iodo-2-(4-methoxyphenyl)-
Show more names
SCHEMBL4983190BYDBCAPACOXVEH-UHFFFAOYSA-NBDBM50176894PD182949
Database identifiers
- CAS
1033-44-9- PubChem CID
- 466289
- ChEMBL
CHEMBL224064- UNII
- 6CH7VVC67L
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Related reactions
1 records
Compound notes
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