Basic information
- CAS
176258-87-0- Standard SMILES
CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1- InChIKey
DTFKONLZGQPVIQ-UHFFFAOYSA-N- Molecular formula
- C14H11I3O2
- Average molar mass
- 591.95 g/mol
- Monoisotopic mass
- 591.7893
Names & identifiers
- Preferred name
- 4-(4-Ethyl-2,6-diiodophenoxy)-2-iodophenol
- IUPAC
- 4-(4-ethyl-2,6-diiodophenoxy)-2-iodophenol
Names & synonyms
176258-87-04-(4-Ethyl-2,6-diiodophenoxy)-2-iodophenolSCHEMBL14264008DTXSID00609471
Database identifiers
- CAS
176258-87-0- PubChem CID
- 20717331
- DTXSID
DTXSID00609471
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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