Basic information
- CAS
7511-29-7- Standard SMILES
CCC(C)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
AAELEXHXAJIHRT-UHFFFAOYSA-N- Molecular formula
- C19H20O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.1412445
Names & identifiers
- Preferred name
- [2-Oxo-2-(4-phenylphenyl)ethyl] 2-methylbutanoate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] 2-methylbutanoate
Names & synonyms
7511-29-7[2-oxo-2-(4-phenylphenyl)ethyl] 2-methylbutanoateNSC405995CHEMBL1994376SCHEMBL21852781DTXSID40324196NSC-405995NCI60_0038452-([1,1'-Biphenyl]-4-yl)-2-oxoethyl 2-methylbutanoate
Database identifiers
- CAS
7511-29-7- PubChem CID
- 347356
- DTXSID
DTXSID40324196- ChEMBL
CHEMBL1994376
Properties
Computed structural properties
- XLogP
- 4.6
- 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
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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