Basic information
- Standard SMILES
COc1cc(/C=C/C(=O)CC(=O)c2ccc(I)cc2)ccc1O- InChIKey
ZFYJMAUNODQLOM-KRXBUXKQSA-N- Molecular formula
- C18H15IO4
- Average molar mass
- 422.2 g/mol
Names & identifiers
- Preferred name
- (E)-5-(4-hydroxy-3-methoxyphenyl)-1-(4-iodophenyl)-pent-4-ene-1,3-dione
- IUPAC
- (E)-5-(4-hydroxy-3-methoxyphenyl)-1-(4-iodophenyl)pent-4-ene-1,3-dione
Names & synonyms
SCHEMBL3856078ZFYJMAUNODQLOM-KRXBUXKQSA-N(E)-5-(4-hydroxy-3-methoxyphenyl)-1-(4-iodophenyl)-pent-4-ene-1,3-dione
Database identifiers
- PubChem CID
- 68815465
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
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