Basic information
- Standard SMILES
Cc1c(C=O)cc(C(C)(C)C)c(O)c1I- InChIKey
HLJJSNRDUIUYQK-UHFFFAOYSA-N- Molecular formula
- C12H15IO2
- Average molar mass
- 318.15 g/mol
Names & identifiers
- Preferred name
- 3-Tert-butyl-4-hydroxy-5-iodo-6-methylbenzaldehyde
- IUPAC
- 5-tert-butyl-4-hydroxy-3-iodo-2-methylbenzaldehyde
Names & synonyms
SCHEMBL11760227HLJJSNRDUIUYQK-UHFFFAOYSA-N3-tert-butyl-4-hydroxy-5-iodo-6-methylbenzaldehyde
Database identifiers
- PubChem CID
- 21392859
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Related reactions
2 records
Compound notes
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