Basic information
- CAS
29538-94-1- Standard SMILES
COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)cc1.[Cl-]- InChIKey
NQKTVDTWNODRQN-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO4
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 361.1080858
Names & identifiers
- Preferred name
- 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-methoxybenzoyl)-, hydrochloride
- IUPAC
- [5-hydroxy-3-(4-methoxybenzoyl)-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Names & synonyms
5-Benzofuranol, 3-(p-anisoyl)-4-dimethylaminomethyl-, hydrochloride4-Dimethylaminomethyl-5-hydroxy-3-(p-methoxybenzoyl)benzofuran hydrochloride5-BENZOFURANOL, 4-DIMETHYLAMINOMETHYL-3-(p-METHOXYBENZOYL)-, HYDROCHLORIDE29538-94-1RefChem:301241
Database identifiers
- CAS
29538-94-1- PubChem CID
- 34616
Properties
Computed structural properties
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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