3-Hydroxy-3-phenyl-2-(4-propanoylphenyl)-2,3-dihydro-1h-isoindol-1-one

HCID 249256

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3532-44-3
Standard SMILES: CCC(=O)c1ccc(N2C(=O)c3ccccc3C2(O)c2ccccc2)cc1
InChIKey: CXAIJAVXSYVZGF-UHFFFAOYSA-N
Molecular formula: C23H19NO3
Average molar mass: 357.4 g/mol
Monoisotopic mass: 357.13649347

Names & identifiers

Preferred name: 3-Hydroxy-3-phenyl-2-(4-propanoylphenyl)-2,3-dihydro-1h-isoindol-1-one
IUPAC: 3-hydroxy-3-phenyl-2-(4-propanoylphenyl)isoindol-1-one

Names & synonyms

3532-44-33-hydroxy-3-phenyl-2-(4-propionylphenyl)isoindolin-1-one3-hydroxy-3-phenyl-2-(4-propanoylphenyl)-2,3-dihydro-1h-isoindol-1-oneNSC673323-Hydroxy-3-phenyl-2-(4-propanylphenyl)-1-isoindolinoneDTXSID40290206NSC-67332

Database identifiers

CAS: 3532-44-3
PubChem CID: 249256
DTXSID: DTXSID40290206

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 562

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…