3-(Acetyloxy)propyl 2-(3-benzoylphenyl)propanoate
Basic information
- Standard SMILES
CC(=O)OCCCOC(=O)C(C)c1cccc(C(=O)c2ccccc2)c1- InChIKey
KTSACUCBRMUUIJ-UHFFFAOYSA-N- Molecular formula
- C21H22O5
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.1467238
Names & identifiers
- Preferred name
- 3-(Acetyloxy)propyl 2-(3-benzoylphenyl)propanoate
- IUPAC
- 3-acetyloxypropyl 2-(3-benzoylphenyl)propanoate
Names & synonyms
3-(acetyloxy)propyl 2-(3-benzoylphenyl)propanoateDTXSID60875312KETOPROFEN,ACETYLOXYPROPYL ESTER
Database identifiers
- PubChem CID
- 10247552
- DTXSID
DTXSID60875312- Nikkaji
- J1.040.126G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
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Compound notes
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