Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
Basic information
- CAS
127572-59-2- Standard SMILES
CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c[nH]1- InChIKey
BXMIPSHBHFUGJK-UHFFFAOYSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Names & identifiers
- Preferred name
- Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate
Names & synonyms
Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylateNSC662560127572-59-2CHEMBL1987459DTXSID30327510NSC-662560NCI60_021647
Database identifiers
- CAS
127572-59-2- PubChem CID
- 378968
- DTXSID
DTXSID30327510- ChEMBL
CHEMBL1987459- Nikkaji
- J329.284C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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