2-(3-Fluorophenyl)-6,7-dimethoxy-1-isoindolinone
Basic information
- CAS
5975-68-8- Standard SMILES
COc1ccc2c(c1OC)C(=O)N(c1cccc(F)c1)C2- InChIKey
WCUCRAUNXRUJSI-UHFFFAOYSA-N- Molecular formula
- C16H14FNO3
- Average molar mass
- 287.28 g/mol
- Monoisotopic mass
- 287.09577147
Names & identifiers
- Preferred name
- 2-(3-Fluorophenyl)-6,7-dimethoxy-1-isoindolinone
- IUPAC
- 2-(3-fluorophenyl)-6,7-dimethoxy-3H-isoindol-1-one
Names & synonyms
5975-68-82-(3-fluorophenyl)-6,7-dimethoxy-1-isoindolinone2-(3-fluorophenyl)-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one2-(3-fluorophenyl)-6,7-dimethoxy-3H-isoindol-1-one2-(3-fluorophenyl)-6,7-dimethoxyisoindolin-1-oneCBMicro_039204Oprea1_318002SCHEMBL4726022DTXSID20975165STK723295AKOS001376707BIM-0039172.P001
Show more names
DS-016069ST4024434ST45148747AG-205/36409001SR-01000430782SR-01000430782-1Z2348834961,2-Benzenedicarboxylic acid,1,2-bis[2-hydroxy-3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]propyl] ester
Database identifiers
- CAS
5975-68-8- PubChem CID
- 691289
- DTXSID
DTXSID20975165
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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