[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate

C22H15FO4 — CID 8676222

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
SMILESO=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H15FO4/c23-19-8-4-7-18(13-19)20(24)14-27-22(26)17-11-9-16(10-12-17)21(25)15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyFPOASZRQKBUKOT-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.10
Rot. Bonds6

About [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate

[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 8676222) has the molecular formula C22H15FO4 and a molecular weight of 362.36 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
PubChem CID8676222
Molecular FormulaC22H15FO4
Molecular Weight362.36 g/mol
Exact Mass362.10
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
SMILESO=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H15FO4/c23-19-8-4-7-18(13-19)20(24)14-27-22(26)17-11-9-16(10-12-17)21(25)15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyFPOASZRQKBUKOT-UHFFFAOYSA-N
XLogP4.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluorophenyl)-2-oxoethyl] 4-cyanobenzoate
CID 8666868
[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
CID 19132570
phenacyl 4-[4-(4-phenacyloxycarbonylphenoxy)benzoyl]benzoate
CID 3094530
[2-(3-benzamidophenyl)-2-oxoethyl] 4-fluorobenzoate
CID 16645357
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203763
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 8675820
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-fluorobenzoate
CID 9198451
[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 8676496
[2-(3-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8825747
[2-[3-[3-(2-benzoyloxyacetyl)phenyl]sulfonylphenyl]-2-oxoethyl] benzoate
CID 516784
phenacyl 4-aminobenzoate
CID 781350
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate (CID 8676222) is [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate is O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is FPOASZRQKBUKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FO4/c23-19-8-4-7-18(13-19)20(24)14-27-22(26)17-11-9-16(10-12-17)21(25)15-5-2-1-3-6-15/h1-13H,14H2.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate?
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 362.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate is sourced from PubChem (CID 8676222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).