1-[4-(4-methoxyphenoxy)phenyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Basic information
- CAS
6094-91-3- Standard SMILES
COc1ccc(Oc2ccc(-n3c(C)cc(C=O)c3C)cc2)cc1- InChIKey
HYJSDXJPIPOUSS-UHFFFAOYSA-N- Molecular formula
- C20H19NO3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13649347
Names & identifiers
- Preferred name
- 1-[4-(4-methoxyphenoxy)phenyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
- IUPAC
- 1-[4-(4-methoxyphenoxy)phenyl]-2,5-dimethylpyrrole-3-carbaldehyde
Names & synonyms
1-[4-(4-methoxyphenoxy)phenyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde6094-91-3ST0534211-[4-(4-methoxyphenoxy)phenyl]-2,5-dimethylpyrrole-3-carbaldehydeCBMicro_045688Oprea1_642980DTXSID40350172STK710667AKOS000295545BIM-0045529.P001AG-205/13867061
Database identifiers
- CAS
6094-91-3- PubChem CID
- 675074
- DTXSID
DTXSID40350172
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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