Basic information
- Standard SMILES
O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(O)cc1- InChIKey
LMOIVGIHFWMMDP-TXEJJXNPSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Names & identifiers
- Preferred name
- cis-2-(4-Hydroxy-phenyl)hexahydroisoindole-1,3-dione
- IUPAC
- (3aR,7aS)-2-(4-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Names & synonyms
SCHEMBL5645885LMOIVGIHFWMMDP-TXEJJXNPSA-Ncis-2-(4-hydroxy-phenyl)hexahydroisoindole-1,3-dionecis-2-(4-Hydroxy-phenyl)-hexahydro-isoindole-1,3-dione
Database identifiers
- PubChem CID
- 7035660
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
6 records
Compound notes
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