2-(Biphenyl-4-yl)-2-oxoethyl octadecanoate
Basic information
- CAS
4376-40-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
AGXGBNCGGADFTM-UHFFFAOYSA-N- Molecular formula
- C32H46O3
- Average molar mass
- 478.7 g/mol
- Monoisotopic mass
- 478.34469533
Names & identifiers
- Preferred name
- 2-(Biphenyl-4-yl)-2-oxoethyl octadecanoate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] octadecanoate
- English name
- Octadecanoic acid, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
- Molecular formula
- C32H46O3
- Molecular weight
- 478.71
Names & synonyms
4376-40-32-(biphenyl-4-yl)-2-oxoethyl octadecanoateNSC57295SCHEMBL9127328DTXSID702886764'-PHENYLPHENACYL STEARATENSC-57295AKOS0244330072-([1,1'-Biphenyl]-4-yl)-2-oxoethyl octadecanoateOctadecanoic acid, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester
Database identifiers
- CAS
4376-40-3- PubChem CID
- 245353
- DTXSID
DTXSID70288676
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Melting point
- 97.3 · 97.3-97.6 °C
- Boiling point
- 585 · 585.0±25.0 °C(Predicted)
- Density
- 0.983 · 0.983±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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