2-[2-(2,6-Dimethoxyphenoxy)ethyl]isoindole-1,3-dione
Basic information
- CAS
87780-28-7- Standard SMILES
COc1cccc(OC)c1OCCN1C(=O)c2ccccc2C1=O- InChIKey
SOAGXBAFBFLZQA-UHFFFAOYSA-N- Molecular formula
- C18H17NO5
- Average molar mass
- 327.3 g/mol
- Monoisotopic mass
- 327.11067264
Names & identifiers
- Preferred name
- 2-[2-(2,6-Dimethoxyphenoxy)ethyl]isoindole-1,3-dione
- IUPAC
- 2-[2-(2,6-dimethoxyphenoxy)ethyl]isoindole-1,3-dione
Names & synonyms
87780-28-72-[2-(2,6-dimethoxyphenoxy)ethyl]isoindole-1,3-dioneNSC294389SCHEMBL10665907DTXSID503153982-[2-(2,6-Dimethoxyphenoxy)ethyl]-1H-isoindole-1,3(2H)-dioneNSC-294389
Database identifiers
- CAS
87780-28-7- PubChem CID
- 325515
- DTXSID
DTXSID50315398
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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