3-Benzofurancarboxylic acid, 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-phenyl-, ethylester
Basic information
- CAS
55878-90-5- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)oc2cc(CN(C)C)c(O)c(Cl)c12- InChIKey
LGCMAHMPEBOPGH-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO4
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1080858
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-phenyl-, ethylester
- IUPAC
- ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Names & synonyms
55878-90-54-Chloro-6-dimethylaminomethyl-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester3-Benzofurancarboxylic acid, 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-phenyl-, ethylesterDTXSID50204470RefChem:276890DTXCID50126961Ethyl 4-chloro-6-((dimethylamino)methyl)-5-hydroxy-2-phenylbenzofuran-3-carboxylateethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylateSCHEMBL11823120
Database identifiers
- CAS
55878-90-5- PubChem CID
- 41649
- DTXSID
DTXSID50204470- Nikkaji
- J71.506I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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