2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl pentanoate
Basic information
- CAS
4376-31-2- Standard SMILES
CCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
BZLLOVCCKBDSDY-UHFFFAOYSA-N- Molecular formula
- C19H20O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.1412445
Names & identifiers
- Preferred name
- 2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl pentanoate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] pentanoate
Names & synonyms
4376-31-2NSC4068152-([1,1'-Biphenyl]-4-yl)-2-oxoethyl pentanoateDTXSID60324471NSC-406815Pentanoic acid 2-biphenyl-4-yl-2-oxo-ethyl ester
Database identifiers
- CAS
4376-31-2- PubChem CID
- 347901
- DTXSID
DTXSID60324471
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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