Ethyl 2-phenyl-4-(pyridin-2-yl)butanoate
Basic information
- CAS
6301-76-4- Standard SMILES
CCOC(=O)C(CCc1ccccn1)c1ccccc1- InChIKey
KSBVDFFNJADPJJ-UHFFFAOYSA-N- Molecular formula
- C17H19NO2
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.14157885
Names & identifiers
- Preferred name
- Ethyl 2-phenyl-4-(pyridin-2-yl)butanoate
- IUPAC
- ethyl 2-phenyl-4-pyridin-2-ylbutanoate
Names & synonyms
6301-76-4MLS002608445ethyl 2-phenyl-4-(pyridin-2-yl)butanoateNSC42704CHEMBL1866579DTXSID40285738HMS3092D21NSC-42704AKOS024323873ethyl 2-phenyl-4-(2-pyridinyl)butanoateethyl 2-phenyl-4-pyridin-2-yl-butanoateSMR001527194
Show more names
DS-011004
Database identifiers
- CAS
6301-76-4- PubChem CID
- 238372
- DTXSID
DTXSID40285738- ChEMBL
CHEMBL1866579
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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