Basic information
- Standard SMILES
Cc1cc(-c2ccc(C#N)cc2)cc(I)c1O- InChIKey
HFIHLRYVRXKAAF-UHFFFAOYSA-N- Molecular formula
- C14H10INO
- Average molar mass
- 335.14 g/mol
Names & identifiers
- Preferred name
- 4'-Hydroxy-5'-iodo-3'-methyl-1,1'-biphenyl-4-carbonitrile
- IUPAC
- 4-(4-hydroxy-3-iodo-5-methylphenyl)benzonitrile
Names & synonyms
SCHEMBL2785846HFIHLRYVRXKAAF-UHFFFAOYSA-N4'-Hydroxy-3'-iodo-5'-methyl-[1,1'-biphenyl]-4-carbonitrile4'-hydroxy-5'-iodo-3'-methyl-1,1'-biphenyl-4-carbonitrile460748-07-6
Database identifiers
- PubChem CID
- 22274583
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
3 records
Compound notes
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