Basic information
- CAS
714278-10-1- Standard SMILES
COc1cc(OC)c(-n2c(C)cc(C=O)c2C)cc1Cl- InChIKey
HWRWKIYYTNGOHK-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO3
- Average molar mass
- 293.74 g/mol
- Monoisotopic mass
- 293.0818711
Names & identifiers
- Preferred name
- 1-(5-Chloro-2,4-dimethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
- IUPAC
- 1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
Names & synonyms
MLS000538259714278-10-11-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehydeSMR0001442991-(5-Chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxaldehydecid_974664CHEMBL1486034BDBM61448DTXSID901146624HMS2444J22AKOS000202388
Show more names
SR-01000286005SR-01000286005-11-(5-chloranyl-2,4-dimethoxy-phenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde1-(5-chloro-2,4-dimethoxy-phenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxaldehyde
Database identifiers
- CAS
714278-10-1- PubChem CID
- 974664
- DTXSID
DTXSID901146624- ChEMBL
CHEMBL1486034
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…