Basic information
- CAS
4376-33-4- Standard SMILES
CCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
FNZVHDMIRFFLJE-UHFFFAOYSA-N- Molecular formula
- C20H22O3
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.15689456
Names & identifiers
- Preferred name
- 2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl hexanoate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] hexanoate
Names & synonyms
4376-33-4NSC4068162-([1,1'-Biphenyl]-4-yl)-2-oxoethyl hexanoateDTXSID20324472NSC-406816Hexanoic acid 2-biphenyl-4-yl-2-oxo-ethyl ester
Database identifiers
- CAS
4376-33-4- PubChem CID
- 347902
- DTXSID
DTXSID20324472
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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