Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1C1CCCC(CO)C1- InChIKey
DEFOJJKWYCFWLK-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
Names & identifiers
- Preferred name
- 2-[3-(Hydroxymethyl)cyclohexyl]isoindole-1,3-dione
- IUPAC
- 2-[3-(hydroxymethyl)cyclohexyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL2377362
Database identifiers
- PubChem CID
- 67385708
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
2 records
Compound notes
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