4-(4-Oxo-4-phenyl-butyryl)-benzoic acid ethyl ester

HCID 4452032
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Basic information

Standard SMILES
CCOC(=O)c1ccc(C(=O)CCC(=O)c2ccccc2)cc1
InChIKey
DUNDBNFYTRQNCB-UHFFFAOYSA-N
Molecular formula
C19H18O4
Average molar mass
310.3 g/mol

Names & identifiers

Preferred name
4-(4-Oxo-4-phenyl-butyryl)-benzoic acid ethyl ester
IUPAC
ethyl 4-(4-oxo-4-phenylbutanoyl)benzoate

Names & synonyms

Oprea1_557675SCHEMBL4476519DUNDBNFYTRQNCB-UHFFFAOYSA-N4-(4-Oxo-4-phenyl-butyryl)-benzoic acid ethyl ester

Database identifiers

PubChem CID
4452032

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
60.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
23

Related reactions

5 records
New reaction record

Compound notes

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