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Basic information
- Standard SMILES
COc1ccc(-c2cc3cc(OC)cc(C(C)(C)C#N)c3o2)cc1- InChIKey
JEAMAOQTZWDBHY-UHFFFAOYSA-N- Molecular formula
- C20H19NO3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13649347
Names & identifiers
- Preferred name
- 2-[5-Methoxy-2-(4-methoxy-phenyl)-benzofuran-7-yl]-2-methyl-propionitrile
- IUPAC
- 2-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]-2-methylpropanenitrile
Names & synonyms
SCHEMBL3924915JEAMAOQTZWDBHY-UHFFFAOYSA-N2-[5-Methoxy-2-(4-methoxy-phenyl)-benzofuran-7-y]-2-methyl-propionitrile2-[5-Methoxy-2-(4-methoxy-phenyl)-benzofuran-7-yl]-2-methyl-propionitrile2-[5Methoxy-2-(4-methoxy-phenyl)-benzofuran-7-yl]-2-methyl-propionitrile
Database identifiers
- PubChem CID
- 10215134
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 475
Related reactions
2 records
Compound notes
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