Ethyl 2-[1-(2'-cyanobiphenyl-4-yl)ethyl]-3-oxohexanoate

HCID 67009459
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Basic information

Standard SMILES
CCCC(=O)C(C(=O)OCC)C(C)c1ccc(-c2ccccc2C#N)cc1
InChIKey
OAXYOGOZLJNCCV-UHFFFAOYSA-N
Molecular formula
C23H25NO3
Average molar mass
363.4 g/mol

Names & identifiers

Preferred name
Ethyl 2-[1-(2'-cyanobiphenyl-4-yl)ethyl]-3-oxohexanoate
IUPAC
ethyl 2-[1-[4-(2-cyanophenyl)phenyl]ethyl]-3-oxohexanoate

Names & synonyms

SCHEMBL1372338OAXYOGOZLJNCCV-UHFFFAOYSA-Nethyl 2-[1-(2'-cyanobiphenyl-4-yl)ethyl]-3-oxohexanoate

Database identifiers

PubChem CID
67009459

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
67.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
27

Related reactions

16 records
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Compound notes

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