Basic information
- Standard SMILES
COC(=O)C(C)(C)COc1ccc(-c2ccc(C#N)cn2)cc1- InChIKey
DJFOYHPRQANVBH-UHFFFAOYSA-N- Molecular formula
- C18H18N2O3
- Average molar mass
- 310.3 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[4-(5-cyanopyridin-2-yl)-phenoxy]-2,2-dimethylpropanoate
- IUPAC
- methyl 3-[4-(5-cyano-2-pyridinyl)phenoxy]-2,2-dimethylpropanoate
Names & synonyms
SCHEMBL9935945DJFOYHPRQANVBH-UHFFFAOYSA-Nmethyl 3-[4-(5-cyanopyridin-2-yl)-phenoxy]-2,2-dimethylpropanoatemethyl 3-[4-(5-cyanopyridin-2-yl)phenoxy]-2,2-dimethylpropanoate
Database identifiers
- PubChem CID
- 67973192
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
1 records
Compound notes
Loading…