2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid

C14H8Cl2O4 — CID 14174396

IUPAC2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
SMILESO=C(O)c1ccccc1-c1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C14H8Cl2O4/c15-7-5-10(14(19)20)12(11(16)6-7)8-3-1-2-4-9(8)13(17)18/h1-6H,(H,17,18)(H,19,20)
InChIKeyIJGKRNUATKKYMQ-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid

2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid (PubChem CID 14174396) has the molecular formula C14H8Cl2O4 and a molecular weight of 311.12 g/mol. Its IUPAC name is 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
PubChem CID14174396
Molecular FormulaC14H8Cl2O4
Molecular Weight311.12 g/mol
Exact Mass309.98
IUPAC Name2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
SMILESO=C(O)c1ccccc1-c1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C14H8Cl2O4/c15-7-5-10(14(19)20)12(11(16)6-7)8-3-1-2-4-9(8)13(17)18/h1-6H,(H,17,18)(H,19,20)
InChIKeyIJGKRNUATKKYMQ-UHFFFAOYSA-N
XLogP4.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 131107493
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
1,4-dichlorobenzene;phthalic acid
CID 146444395
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
2,5-dichloro-3-phenylbenzoic acid
CID 70699464
copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride
CID 173026508

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid?
The IUPAC name of 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid (CID 14174396) is 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid.
What is the SMILES notation for 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid?
The canonical SMILES for 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid is O=C(O)c1ccccc1-c1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid?
The InChIKey is IJGKRNUATKKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O4/c15-7-5-10(14(19)20)12(11(16)6-7)8-3-1-2-4-9(8)13(17)18/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid?
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid has a molecular weight of 311.12 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid is sourced from PubChem (CID 14174396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).