Basic information
- CAS
1385022-22-9- Standard SMILES
CC(C)(C)c1ccc2c(c1)C(O)N(C(C)(C)C)C2=O- InChIKey
XXJDOLBZILYIKI-UHFFFAOYSA-N- Molecular formula
- C16H23NO2
- Average molar mass
- 261.36 g/mol
- Monoisotopic mass
- 261.17287898
Names & identifiers
- Preferred name
- 2,5-Di-tert-butyl-3-hydroxyisoindolin-1-one
- IUPAC
- 2,5-ditert-butyl-3-hydroxy-3H-isoindol-1-one
Names & synonyms
2,5-Bis(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-1H-isoindol-1-one1385022-22-9SCHEMBL14696426XXJDOLBZILYIKI-UHFFFAOYSA-NDTXSID201165053DB-1920422,5-di-tert-butyl-3-hydroxyisoindolin-1-one2,5-di-tert-butyl-3-hydroxyl-2,3-dihydro-isoindol-1-one2,5-Di-tert-butyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
Database identifiers
- CAS
1385022-22-9- PubChem CID
- 71257802
- DTXSID
DTXSID201165053
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
2 records
Compound notes
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