[2-Oxo-2-(4-phenylphenyl)ethyl] 5-methylhexanoate
Basic information
- CAS
7598-47-2- Standard SMILES
CC(C)CCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
KJLHQTOFHBVTLQ-UHFFFAOYSA-N- Molecular formula
- C21H24O3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.17254462
Names & identifiers
- Preferred name
- [2-Oxo-2-(4-phenylphenyl)ethyl] 5-methylhexanoate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] 5-methylhexanoate
Names & synonyms
7598-47-2[2-oxo-2-(4-phenylphenyl)ethyl] 5-methylhexanoateNSC406823DTXSID40324479NSC-4068232-([1,1'-Biphenyl]-4-yl)-2-oxoethyl 5-methylhexanoate
Database identifiers
- CAS
7598-47-2- PubChem CID
- 347909
- DTXSID
DTXSID40324479
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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