Basic information
- CAS
143239-05-8- Standard SMILES
C[C@H](CI)Cc1cccc(O)c1- InChIKey
ZAHQYHPWGLDSPB-QMMMGPOBSA-N- Molecular formula
- C10H13IO
- Average molar mass
- 276.11 g/mol
- Monoisotopic mass
- 276.00111
Names & identifiers
- Preferred name
- Phenol, 3-(3-iodo-2-methylpropyl)-, (S)-
- IUPAC
- 3-[(2S)-3-iodo-2-methylpropyl]phenol
Names & synonyms
Phenol, 3-(3-iodo-2-methylpropyl)-, (S)-143239-05-8DTXSID501623643-[(2S)-3-iodo-2-methylpropyl]phenol
Database identifiers
- CAS
143239-05-8- PubChem CID
- 178704
- DTXSID
DTXSID50162364
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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