2-[1,1'-Biphenyl]-4-yl-2-oxoethyl octanoate
Basic information
- CAS
6942-70-7- Standard SMILES
CCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
VEJHBNSTZDNKOS-UHFFFAOYSA-N- Molecular formula
- C22H26O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.18819469
Names & identifiers
- Preferred name
- 2-[1,1'-Biphenyl]-4-yl-2-oxoethyl octanoate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] octanoate
Names & synonyms
6942-70-72-[1,1'-Biphenyl]-4-yl-2-oxoethyl octanoateNSC57288DTXSID30288672VEJHBNSTZDNKOS-UHFFFAOYSA-NNSC-572882-([1,1'-Biphenyl]-4-yl)-2-oxoethyl octanoate2-[1,1'-Biphenyl]-4-yl-2-oxoethyl octanoate #Octanoic acid 2-biphenyl-4-yl-2-oxo-ethyl esterOctanoic acid, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
Database identifiers
- CAS
6942-70-7- PubChem CID
- 245346
- DTXSID
DTXSID30288672
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 390
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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