2-[(4-methoxyphenyl)methyl]-1H-pyrrole
Basic information
- CAS
1963-42-4- Standard SMILES
COc1ccc(Cc2ccc[nH]2)cc1- InChIKey
OYFWGFPDIJNNOD-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- 2-[(4-methoxyphenyl)methyl]-1H-pyrrole
- IUPAC
- 2-[(4-methoxyphenyl)methyl]-1H-pyrrole
Names & synonyms
2-[(4-methoxyphenyl)methyl]-1H-pyrrole1963-42-4NSC329217SCHEMBL11377807DTXSID40318358NSC-3292172-[(4-methoxyphenyl)-methyl]-1H-pyrroleDS-012709
Database identifiers
- CAS
1963-42-4- PubChem CID
- 332408
- DTXSID
DTXSID40318358- Nikkaji
- J3.265.138K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…