Basic information
- CAS
5969-21-1- Standard SMILES
COc1ccc2c(c1OC)C(=O)N(c1cccc(C)c1)C2- InChIKey
BIGNVHWTMKJIKT-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-2-(3-methylphenyl)-2,3-dihydro-1h-isoindol-1-one
- IUPAC
- 6,7-dimethoxy-2-(3-methylphenyl)-3H-isoindol-1-one
Names & synonyms
6,7-dimethoxy-2-(3-methylphenyl)-2,3-dihydro-1h-isoindol-1-one6,7-dimethoxy-2-(3-methylphenyl)-1-isoindolinoneSMR000070471CBMicro_039423Oprea1_083637MLS0000990566,7-dimethoxy-2-(3-methylphenyl)-3H-isoindol-1-oneCHEMBL1511217SCHEMBL21033067DTXSID60975088HMS2332M05MFCD00998745
Show more names
AKOS003603949BIM-0039543.P001SR-01000453255SR-01000453255-1
Database identifiers
- CAS
5969-21-1- PubChem CID
- 752122
- DTXSID
DTXSID60975088- ChEMBL
CHEMBL1511217
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…