5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid

C15H8Cl2O6 — CID 143422520

IUPAC5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)cc(C(=O)c2cc(Cl)c(O)c(C(=O)O)c2)c1
InChIInChI=1S/C15H8Cl2O6/c16-9-2-6(1-8(3-9)14(20)21)12(18)7-4-10(15(22)23)13(19)11(17)5-7/h1-5,19H,(H,20,21)(H,22,23)
InChIKeyUSWYPLHDUIMKQG-UHFFFAOYSA-N
MW355.13 g/mol
LogP3.33
Rot. Bonds4

About 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid

5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid (PubChem CID 143422520) has the molecular formula C15H8Cl2O6 and a molecular weight of 355.13 g/mol. Its IUPAC name is 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid
PubChem CID143422520
Molecular FormulaC15H8Cl2O6
Molecular Weight355.13 g/mol
Exact Mass353.97
IUPAC Name5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)cc(C(=O)c2cc(Cl)c(O)c(C(=O)O)c2)c1
InChIInChI=1S/C15H8Cl2O6/c16-9-2-6(1-8(3-9)14(20)21)12(18)7-4-10(15(22)23)13(19)11(17)5-7/h1-5,19H,(H,20,21)(H,22,23)
InChIKeyUSWYPLHDUIMKQG-UHFFFAOYSA-N
XLogP3.33
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
calcium;hydride;2-hydroxybenzene-1,3,5-tricarboxylic acid
CID 174724690
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
5-(3-carboxy-5-chlorophenyl)benzene-1,3-dicarboxylic acid
CID 53228361
3-chloro-5-fluoro-4-hydroxybenzoic acid
CID 67496538
2-chlorobenzene-1,3,5-tricarboxylic acid
CID 70547954
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
benzene-1,3,5-tricarboxylic acid;europium;lanthanum
CID 174874160
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093
5-chloro-3-cyano-2-hydroxybenzoic acid
CID 130981649
sodium 3,4,5-trichlorobenzoic acid
CID 155920302
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid?
The IUPAC name of 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid (CID 143422520) is 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid?
The canonical SMILES for 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid is O=C(O)c1cc(Cl)cc(C(=O)c2cc(Cl)c(O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid?
The InChIKey is USWYPLHDUIMKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O6/c16-9-2-6(1-8(3-9)14(20)21)12(18)7-4-10(15(22)23)13(19)11(17)5-7/h1-5,19H,(H,20,21)(H,22,23).
What are the key properties of 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid?
5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid has a molecular weight of 355.13 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxy-5-chlorobenzoyl)-3-chloro-2-hydroxybenzoic acid is sourced from PubChem (CID 143422520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).