4,5-Dimethoxy-2-(2-phenylethynyl)benzaldehyde
Basic information
- CAS
106824-46-8- Standard SMILES
COc1cc(C#Cc2ccccc2)c(C=O)cc1OC- InChIKey
WMKMLRVNEGCHEZ-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.0942943
Names & identifiers
- Preferred name
- 4,5-Dimethoxy-2-(2-phenylethynyl)benzaldehyde
- IUPAC
- 4,5-dimethoxy-2-(2-phenylethynyl)benzaldehyde
Names & synonyms
4,5-dimethoxy-2-(2-phenylethynyl)benzaldehyde106824-46-8RefChem:2854684,5-dimethoxy-2-(phenylethynyl)benzaldehydeSCHEMBL15895661WMKMLRVNEGCHEZ-UHFFFAOYSA-NDTXSID601254567
Database identifiers
- CAS
106824-46-8- PubChem CID
- 13699288
- DTXSID
DTXSID601254567- Nikkaji
- J2.067.559D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
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Compound notes
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