5-Benzofuranol, 3-(2,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride
Basic information
- CAS
29538-96-3- Standard SMILES
COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)c(OC)c1.[Cl-]- InChIKey
PDDRPFOKIHMPAC-UHFFFAOYSA-N- Molecular formula
- C20H22ClNO5
- Average molar mass
- 391.8 g/mol
- Monoisotopic mass
- 391.1186505
Names & identifiers
- Preferred name
- 5-Benzofuranol, 3-(2,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride
- IUPAC
- [3-(2,4-dimethoxybenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Names & synonyms
5-BENZOFURANOL, 3-(2,4-DIMETHOXYBENZOYL)-4-DIMETHYLAMINOMETHYL-, HYDROCHLORIDE29538-96-33-(2,4-Dimethoxybenzoyl)-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochlorideKetone, 2,4-dimethoxyphenyl 4-((dimethylamino)methyl)-5-hydroxy-3-benzofuranyl, HClRefChem:301217
Database identifiers
- CAS
29538-96-3- PubChem CID
- 34620
Properties
Computed structural properties
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 485
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…