2-(4-Methoxyphenyl)-3-(3,5-trimethoxyphenyl)propanonitrile
Basic information
- Standard SMILES
COc1ccc(C(C#N)Cc2cc(OC)c(OC)c(OC)c2)cc1- InChIKey
HOEGAADPJGVIFT-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-3-(3,5-trimethoxyphenyl)propanonitrile
- IUPAC
- 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanenitrile
Names & synonyms
NSC638480CHEMBL305889SCHEMBL9185981NSC-638480NCI60_0128652-(4-Methoxyphenyl)-3-(3,5-trimethoxyphenyl)propanonitrile
Database identifiers
- PubChem CID
- 368137
- ChEMBL
CHEMBL305889- Nikkaji
- J490.063D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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