1H-Pyrrole-2-propanoic acid, 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-
Basic information
- CAS
3150-65-0- Standard SMILES
COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccccc2OC)cc1- InChIKey
PYODIXNBVINYTJ-UHFFFAOYSA-N- Molecular formula
- C21H21NO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14705815
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-propanoic acid, 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-
- IUPAC
- 3-[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
Names & synonyms
3150-65-0X3PL4M5SEB1H-Pyrrole-2-propanoic acid, 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-1H-Pyrrole-2-propanoicacid, 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid1-(o-Methoxyphenyl)-5-(p-methoxyphenyl)pyrrole-2-propionic acidUNII-X3PL4M5SEB3-[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acidOprea1_299986Oprea1_665399MLS001211047CHEMBL1609092
Show more names
DTXSID70274610HMS2829M07STK104933AKOS0005930443-[5-(4-Methoxy-phenyl)-1-(2-methoxy-phenyl)-1H-pyrrol-2-yl]-propionic acidNCGC00245376-01SMR000518782
Database identifiers
- CAS
3150-65-0- PubChem CID
- 18469
- DTXSID
DTXSID70274610- ChEMBL
CHEMBL1609092- UNII
- X3PL4M5SEB
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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