5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride
Basic information
- CAS
29538-95-2- Standard SMILES
COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)cc1OC.[Cl-]- InChIKey
FRMHFXTZCUPZAI-UHFFFAOYSA-N- Molecular formula
- C20H22ClNO5
- Average molar mass
- 391.8 g/mol
- Monoisotopic mass
- 391.1186505
Names & identifiers
- Preferred name
- 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride
- IUPAC
- [3-(3,4-dimethoxybenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Names & synonyms
5-BENZOFURANOL, 3-(3,4-DIMETHOXYBENZOYL)-4-DIMETHYLAMINOMETHYL-, HYDROCHLORIDE3-(3,4-Dimethoxybenzoyl)-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride29538-95-2RefChem:301218
Database identifiers
- CAS
29538-95-2- PubChem CID
- 34618
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
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Compound notes
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