Basic information
- CAS
95895-60-6- Standard SMILES
O=C1c2ccccc2C(=O)N1OCCOc1ccc(Oc2ccccc2)cc1- InChIKey
ACDZCCIVNRQFFF-UHFFFAOYSA-N- Molecular formula
- C22H17NO5
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.11067264
Names & identifiers
- Preferred name
- 2-[2-(4-Phenoxyphenoxy)ethoxy]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[2-(4-phenoxyphenoxy)ethoxy]isoindole-1,3-dione
Names & synonyms
95895-60-6SCHEMBL11036117DTXSID505412912-[2-(4-Phenoxyphenoxy)ethoxy]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
95895-60-6- PubChem CID
- 13455270
- DTXSID
DTXSID50541291
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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