Basic information
- Standard SMILES
COc1cc(OC)c2cc(-c3ccc(C#N)cc3)oc2c1- InChIKey
DKBLRRKCVDGLHA-UHFFFAOYSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
Names & identifiers
- Preferred name
- 4-(4,6-Dimethoxy-1-benzofuran-2-yl)benzonitrile
- IUPAC
- 4-(4,6-dimethoxy-1-benzofuran-2-yl)benzonitrile
Names & synonyms
4-(4,6-dimethoxy-1-benzofuran-2-yl)benzonitrileSCHEMBL1740933DKBLRRKCVDGLHA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 54590873
- Nikkaji
- J3.035.461C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
1 records
Compound notes
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