[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

C23H17FO4 — CID 2358679

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FO4/c1-15-6-8-17(9-7-15)22(26)19-4-2-3-5-20(19)23(27)28-14-21(25)16-10-12-18(24)13-11-16/h2-13H,14H2,1H3
InChIKeyXILPUKMFFBJPSF-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.40
Rot. Bonds6

About [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 2358679) has the molecular formula C23H17FO4 and a molecular weight of 376.38 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID2358679
Molecular FormulaC23H17FO4
Molecular Weight376.38 g/mol
Exact Mass376.11
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FO4/c1-15-6-8-17(9-7-15)22(26)19-4-2-3-5-20(19)23(27)28-14-21(25)16-10-12-18(24)13-11-16/h2-13H,14H2,1H3
InChIKeyXILPUKMFFBJPSF-UHFFFAOYSA-N
XLogP4.40
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (CID 2358679) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is XILPUKMFFBJPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FO4/c1-15-6-8-17(9-7-15)22(26)19-4-2-3-5-20(19)23(27)28-14-21(25)16-10-12-18(24)13-11-16/h2-13H,14H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 376.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 2358679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).