2-(4-Fluorophenyl)-6,7-dimethoxyisoindolin-1-one

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Basic information

CAS: 499183-67-4
Standard SMILES: COc1ccc2c(c1OC)C(=O)N(c1ccc(F)cc1)C2
InChIKey: HUGQCGWAJKBREY-UHFFFAOYSA-N
Molecular formula: C16H14FNO3
Average molar mass: 287.28 g/mol
Monoisotopic mass: 287.09577147

Names & identifiers

Preferred name: 2-(4-Fluorophenyl)-6,7-dimethoxyisoindolin-1-one
IUPAC: 2-(4-fluorophenyl)-6,7-dimethoxy-3H-isoindol-1-one

Names & synonyms

2-(4-fluorophenyl)-6,7-dimethoxyisoindolin-1-one2-(4-fluorophenyl)-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-oneTimTec1_006531Oprea1_143147Oprea1_248090MLS0011963032-(4-fluorophenyl)-6,7-dimethoxy-3H-isoindol-1-oneCHEMBL1309243DTXSID001327021HMS1552I19HMS2854B19STK774219

Show more names

AKOS001653572499183-67-4SMR000556362ST059890EU-0013950Z57229331

Database identifiers

CAS: 499183-67-4
PubChem CID: 718057
DTXSID: DTXSID001327021
ChEMBL: CHEMBL1309243

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 384

Experimental & physicochemical properties

Solubility3.8 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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