4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid

C13H8Cl2O4 — CID 23656593

IUPAC4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H8Cl2O4/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6,16H,(H,17,18)
InChIKeyKUJXLYCFJYCPHN-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.19
Rot. Bonds3

About 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid

4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid (PubChem CID 23656593) has the molecular formula C13H8Cl2O4 and a molecular weight of 299.11 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid
PubChem CID23656593
Molecular FormulaC13H8Cl2O4
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H8Cl2O4/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6,16H,(H,17,18)
InChIKeyKUJXLYCFJYCPHN-UHFFFAOYSA-N
XLogP4.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid?
The IUPAC name of 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid (CID 23656593) is 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid is O=C(O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid?
The InChIKey is KUJXLYCFJYCPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O4/c14-8-2-4-11(9(15)6-8)19-12-3-1-7(13(17)18)5-10(12)16/h1-6,16H,(H,17,18).
What are the key properties of 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid?
4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid has a molecular weight of 299.11 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-3-hydroxybenzoic acid is sourced from PubChem (CID 23656593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).