Basic information
- CAS
3532-76-1- Standard SMILES
COCCCN1C(=O)c2ccccc2C1(O)c1ccccc1- InChIKey
HYOCFWRGEISSMM-UHFFFAOYSA-N- Molecular formula
- C18H19NO3
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.13649347
Names & identifiers
- Preferred name
- 3-Hydroxy-2-(3-methoxypropyl)-3-phenyl-2,3-dihydro-1h-isoindol-1-one
- IUPAC
- 3-hydroxy-2-(3-methoxypropyl)-3-phenylisoindol-1-one
Names & synonyms
3532-76-13-hydroxy-2-(3-methoxypropyl)-3-phenylisoindolin-1-one3-hydroxy-2-(3-methoxypropyl)-3-phenyl-2,3-dihydro-1h-isoindol-1-oneNSC67324DTXSID60290203NSC-67324
Database identifiers
- CAS
3532-76-1- PubChem CID
- 249252
- DTXSID
DTXSID60290203
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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