Basic information
- Standard SMILES
Cc1cccc(C(C)O)c1I- InChIKey
BRHIOCDGIQAQQQ-UHFFFAOYSA-N- Molecular formula
- C9H11IO
- Average molar mass
- 262.09 g/mol
- Monoisotopic mass
- 261.98546
Names & identifiers
- Preferred name
- 1-(2-Iodo-3-methylphenyl)ethanol
- IUPAC
- 1-(2-iodo-3-methylphenyl)ethanol
Database identifiers
- PubChem CID
- 21590791
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Related reactions
2 records
Compound notes
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