3-Hydroxy-7-iodo-2-(4-methoxyphenyl)chromen-4-one
Basic information
- CAS
1431-95-4- Standard SMILES
COc1ccc(-c2oc3cc(I)ccc3c(=O)c2O)cc1- InChIKey
JTXOYANWTYBIJB-UHFFFAOYSA-N- Molecular formula
- C16H11IO4
- Average molar mass
- 394.16 g/mol
- Monoisotopic mass
- 393.97021
Names & identifiers
- Preferred name
- 3-Hydroxy-7-iodo-2-(4-methoxyphenyl)chromen-4-one
- IUPAC
- 3-hydroxy-7-iodo-2-(4-methoxyphenyl)chromen-4-one
Names & synonyms
3-hydroxy-7-iodo-2-(4-methoxyphenyl)chromen-4-oneDTXSID0011938923-Hydroxy-4'-methoxy-7-iodoflavanone1431-95-43-Hydroxy-7-iodo-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
1431-95-4- PubChem CID
- 466302
- DTXSID
DTXSID001193892
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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