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

C13H7Cl3O2 — CID 53227705

IUPAC2-chloro-4-(2,5-dichlorophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C13H7Cl3O2/c14-8-2-4-11(15)10(6-8)7-1-3-9(13(17)18)12(16)5-7/h1-6H,(H,17,18)
InChIKeyFKPKJEAPOHBANE-UHFFFAOYSA-N
MW301.56 g/mol
LogP5.01
Rot. Bonds2

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

2-chloro-4-(2,5-dichlorophenyl)benzoic acid (PubChem CID 53227705) has the molecular formula C13H7Cl3O2 and a molecular weight of 301.56 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dichlorophenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2,5-dichlorophenyl)benzoic acid
PubChem CID53227705
Molecular FormulaC13H7Cl3O2
Molecular Weight301.56 g/mol
Exact Mass299.95
IUPAC Name2-chloro-4-(2,5-dichlorophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C13H7Cl3O2/c14-8-2-4-11(15)10(6-8)7-1-3-9(13(17)18)12(16)5-7/h1-6H,(H,17,18)
InChIKeyFKPKJEAPOHBANE-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

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Related Compounds

4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
2-(2,5-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118813640
2-chloro-4-phenylbenzoic acid
CID 21487426
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
2-[4-(2,5-dichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 82040010

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dichlorophenyl)benzoic acid?
The IUPAC name of 2-chloro-4-(2,5-dichlorophenyl)benzoic acid (CID 53227705) is 2-chloro-4-(2,5-dichlorophenyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2,5-dichlorophenyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(2,5-dichlorophenyl)benzoic acid is O=C(O)c1ccc(-c2cc(Cl)ccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,5-dichlorophenyl)benzoic acid?
The InChIKey is FKPKJEAPOHBANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3O2/c14-8-2-4-11(15)10(6-8)7-1-3-9(13(17)18)12(16)5-7/h1-6H,(H,17,18).
What are the key properties of 2-chloro-4-(2,5-dichlorophenyl)benzoic acid?
2-chloro-4-(2,5-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 2-chloro-4-(2,5-dichlorophenyl)benzoic acid is sourced from PubChem (CID 53227705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).