Basic information
- CAS
900174-04-1- Standard SMILES
CC(C)Oc1ccc(I)cc1O- InChIKey
DWEUYVMOSCQMLJ-UHFFFAOYSA-N- Molecular formula
- C9H11IO2
- Average molar mass
- 278.09 g/mol
- Monoisotopic mass
- 277.98037759
Names & identifiers
- Preferred name
- Phenol, 5-iodo-2-(1-methylethoxy)-
- IUPAC
- 5-iodo-2-propan-2-yloxyphenol
Names & synonyms
900174-04-1Phenol, 5-iodo-2-(1-methylethoxy)-5-IODO-2-ISOPROPOXYPHENOLSCHEMBL2851014DTXSID20730059DWEUYVMOSCQMLJ-UHFFFAOYSA-N5-Iodo-2-[(propan-2-yl)oxy]phenolMB230405-IODO-2-(PROPAN-2-YLOXY)PHENOLDB-113766
Database identifiers
- CAS
900174-04-1- PubChem CID
- 58788960
- DTXSID
DTXSID20730059
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Related reactions
4 records
Compound notes
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