2-(4-Phenoxybutyl)-1H-isoindole-1,3(2H)-dione

HCID 16637597

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 124721-39-7
Standard SMILES: O=C1c2ccccc2C(=O)N1CCCCOc1ccccc1
InChIKey: MYQIMOPCPKOERU-UHFFFAOYSA-N
Molecular formula: C18H17NO3
Average molar mass: 295.3 g/mol
Monoisotopic mass: 295.1208434

Names & identifiers

Preferred name: 2-(4-Phenoxybutyl)-1H-isoindole-1,3(2H)-dione
IUPAC: 2-(4-phenoxybutyl)isoindole-1,3-dione

Names & synonyms

124721-39-72-(4-Phenoxybutyl)-1H-isoindole-1,3(2H)-dioneN-(4-phenoxybutyl)phthalimideSCHEMBL1999435CHEMBL1215615DTXSID10586249MYQIMOPCPKOERU-UHFFFAOYSA-NAKOS0002768812-(4-phenoxybutyl)1H-isoindole-1,3(2H)-dione

Database identifiers

CAS: 124721-39-7
PubChem CID: 16637597
DTXSID: DTXSID10586249
ChEMBL: CHEMBL1215615
Nikkaji: J2.211.109D

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 379

Related reactions

8 records

New reaction record

HRID 193349As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 312521As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1198119As reactantuspto-grants-1994_01

HRID 1205556As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2239552As productuspto-grants-2010_05

HRID 2239553As reactantuspto-grants-2010_05

HRID 2421955As productuspto-grants-2011_06

HRID 2421956As reactantuspto-grants-2011_06

Compound notes

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