5-chloro-2-(2,4-dichlorophenyl)benzoic acid

C13H7Cl3O2 — CID 114026411

IUPAC5-chloro-2-(2,4-dichlorophenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3O2/c14-7-1-3-9(11(5-7)13(17)18)10-4-2-8(15)6-12(10)16/h1-6H,(H,17,18)
InChIKeyYASQDFNRBGWZQT-UHFFFAOYSA-N
MW301.56 g/mol
LogP5.01
Rot. Bonds2

About 5-chloro-2-(2,4-dichlorophenyl)benzoic acid

5-chloro-2-(2,4-dichlorophenyl)benzoic acid (PubChem CID 114026411) has the molecular formula C13H7Cl3O2 and a molecular weight of 301.56 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dichlorophenyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2,4-dichlorophenyl)benzoic acid
PubChem CID114026411
Molecular FormulaC13H7Cl3O2
Molecular Weight301.56 g/mol
Exact Mass299.95
IUPAC Name5-chloro-2-(2,4-dichlorophenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3O2/c14-7-1-3-9(11(5-7)13(17)18)10-4-2-8(15)6-12(10)16/h1-6H,(H,17,18)
InChIKeyYASQDFNRBGWZQT-UHFFFAOYSA-N
XLogP5.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.56
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-2-(2,4-dichlorophenyl)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

Related Compounds

5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
4-amino-2-(2,4-dichlorophenyl)benzoic acid
CID 162623483
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174558705
2-(2,4-dichlorophenyl)benzoyl chloride
CID 171785287
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)benzoic acid?
The IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)benzoic acid (CID 114026411) is 5-chloro-2-(2,4-dichlorophenyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2,4-dichlorophenyl)benzoic acid?
The canonical SMILES for 5-chloro-2-(2,4-dichlorophenyl)benzoic acid is O=C(O)c1cc(Cl)ccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-(2,4-dichlorophenyl)benzoic acid?
The InChIKey is YASQDFNRBGWZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3O2/c14-7-1-3-9(11(5-7)13(17)18)10-4-2-8(15)6-12(10)16/h1-6H,(H,17,18).
What are the key properties of 5-chloro-2-(2,4-dichlorophenyl)benzoic acid?
5-chloro-2-(2,4-dichlorophenyl)benzoic acid has a molecular weight of 301.56 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dichlorophenyl)benzoic acid is sourced from PubChem (CID 114026411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).