4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid

C20H12Cl2O3 — CID 11726674

IUPAC4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C20H12Cl2O3/c21-16-9-10-17(18(22)11-16)12-1-3-13(4-2-12)19(23)14-5-7-15(8-6-14)20(24)25/h1-11H,(H,24,25)
InChIKeyGWUYLVYFOIXRPU-UHFFFAOYSA-N
MW371.22 g/mol
LogP5.59
Rot. Bonds4

About 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid

4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid (PubChem CID 11726674) has the molecular formula C20H12Cl2O3 and a molecular weight of 371.22 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid
PubChem CID11726674
Molecular FormulaC20H12Cl2O3
Molecular Weight371.22 g/mol
Exact Mass370.02
IUPAC Name4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C20H12Cl2O3/c21-16-9-10-17(18(22)11-16)12-1-3-13(4-2-12)19(23)14-5-7-15(8-6-14)20(24)25/h1-11H,(H,24,25)
InChIKeyGWUYLVYFOIXRPU-UHFFFAOYSA-N
XLogP5.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.22
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid 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 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid?
The IUPAC name of 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid (CID 11726674) is 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid.
What is the SMILES notation for 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid?
The canonical SMILES for 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid is O=C(O)c1ccc(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid?
The InChIKey is GWUYLVYFOIXRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O3/c21-16-9-10-17(18(22)11-16)12-1-3-13(4-2-12)19(23)14-5-7-15(8-6-14)20(24)25/h1-11H,(H,24,25).
What are the key properties of 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid?
4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid has a molecular weight of 371.22 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorophenyl)benzoyl]benzoic acid is sourced from PubChem (CID 11726674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).