2-[1,1'-Biphenyl]-4-yl-2-oxoethyl 3-methylbutanoate
Basic information
- CAS
4376-32-3- Standard SMILES
CC(C)CC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
PLJCISGAYSAELP-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 3-methylbutanoate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] 3-methylbutanoate
Names & synonyms
4376-32-32-[1,1'-Biphenyl]-4-yl-2-oxoethyl 3-methylbutanoateNSC56157NCIOpen2_002262DTXSID50288497PLJCISGAYSAELP-UHFFFAOYSA-NNSC-561573-Methylbutyric acid, 2-biphenyl-4-yl-2-oxoethyl ester2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl 3-methylbutanoate2-[1,1'-Biphenyl]-4-yl-2-oxoethyl 3-methylbutanoate #
Database identifiers
- CAS
4376-32-3- PubChem CID
- 244871
- DTXSID
DTXSID50288497
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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