Basic information
- Standard SMILES
CC(C)C(O)COc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1- InChIKey
SZAASWIIDRSTLO-UHFFFAOYSA-N- Molecular formula
- C21H23NO5
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-(3-(2-Hydroxy-3-methylbutoxy)phenoxy)ethyl)isoindoline-1,3-dione
- IUPAC
- 2-[2-[3-(2-hydroxy-3-methylbutoxy)phenoxy]ethyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL2207050SZAASWIIDRSTLO-UHFFFAOYSA-N2-(2-(3-(2-hydroxy-3-methylbutoxy)phenoxy)ethyl)isoindoline-1,3-dione
Database identifiers
- PubChem CID
- 67316872
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
Related reactions
6 records
Compound notes
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