Basic information
- Standard SMILES
COC(=O)C(C)(Oc1ccc(C(C)(c2ccc(I)cc2)C(C)C)cc1)c1ccccn1- InChIKey
HIWKTPYKSQKSIA-UHFFFAOYSA-N- Molecular formula
- C26H28INO3
- Average molar mass
- 529.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-{4-[1-(4-iodophenyl)-1,2-dimethylpropyl]phenoxy}-2-pyridin-2-ylpropanoate
- IUPAC
- methyl 2-[4-[2-(4-iodophenyl)-3-methylbutan-2-yl]phenoxy]-2-pyridin-2-ylpropanoate
Names & synonyms
SCHEMBL2250290HIWKTPYKSQKSIA-UHFFFAOYSA-Nmethyl 2-{4-[1-(4-iodophenyl)-1,2-dimethylpropyl]phenoxy}-2-pyridin-2-ylpropanoate
Database identifiers
- PubChem CID
- 58381237
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 583
Related reactions
2 records
Compound notes
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