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

C13H7Cl3O2 — CID 53227684

IUPAC3-chloro-5-(2,4-dichlorophenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl3O2/c14-9-1-2-11(12(16)6-9)7-3-8(13(17)18)5-10(15)4-7/h1-6H,(H,17,18)
InChIKeyBTQGANSTEJPECJ-UHFFFAOYSA-N
MW301.56 g/mol
LogP5.01
Rot. Bonds2

About 3-chloro-5-(2,4-dichlorophenyl)benzoic acid

3-chloro-5-(2,4-dichlorophenyl)benzoic acid (PubChem CID 53227684) has the molecular formula C13H7Cl3O2 and a molecular weight of 301.56 g/mol. Its IUPAC name is 3-chloro-5-(2,4-dichlorophenyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-(2,4-dichlorophenyl)benzoic acid
PubChem CID53227684
Molecular FormulaC13H7Cl3O2
Molecular Weight301.56 g/mol
Exact Mass299.95
IUPAC Name3-chloro-5-(2,4-dichlorophenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl3O2/c14-9-1-2-11(12(16)6-9)7-3-8(13(17)18)5-10(15)4-7/h1-6H,(H,17,18)
InChIKeyBTQGANSTEJPECJ-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

3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
CID 53227681
5-(3-carboxy-5-chlorophenyl)benzene-1,3-dicarboxylic acid
CID 53228361
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
3-[2,6-dichloro-4-(2,4-dichlorophenyl)phenyl]propanoic acid
CID 59946858
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
CID 53226890

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,4-dichlorophenyl)benzoic acid?
The IUPAC name of 3-chloro-5-(2,4-dichlorophenyl)benzoic acid (CID 53227684) is 3-chloro-5-(2,4-dichlorophenyl)benzoic acid.
What is the SMILES notation for 3-chloro-5-(2,4-dichlorophenyl)benzoic acid?
The canonical SMILES for 3-chloro-5-(2,4-dichlorophenyl)benzoic acid is O=C(O)c1cc(Cl)cc(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-chloro-5-(2,4-dichlorophenyl)benzoic acid?
The InChIKey is BTQGANSTEJPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3O2/c14-9-1-2-11(12(16)6-9)7-3-8(13(17)18)5-10(15)4-7/h1-6H,(H,17,18).
What are the key properties of 3-chloro-5-(2,4-dichlorophenyl)benzoic acid?
3-chloro-5-(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 3-chloro-5-(2,4-dichlorophenyl)benzoic acid is sourced from PubChem (CID 53227684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).