Basic information
- Standard SMILES
CC(C)(C(=O)O)c1ccc(C(O)CCCI)cc1- InChIKey
HYTGHLDTMFYBKI-UHFFFAOYSA-N- Molecular formula
- C14H19IO3
- Average molar mass
- 362.2 g/mol
Names & identifiers
- Preferred name
- 4-(1-Hydroxy-4-iodobutyl)-alpha,alpha-dimethylphenylacetic acid
- IUPAC
- 2-[4-(1-hydroxy-4-iodobutyl)phenyl]-2-methylpropanoic acid
Names & synonyms
SCHEMBL4580046HYTGHLDTMFYBKI-UHFFFAOYSA-N4-(1-hydroxy-4-iodobutyl)-alpha,alpha-dimethylphenylacetic acid
Database identifiers
- PubChem CID
- 22222706
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
11 records
Compound notes
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