2-chloro-4-(2-chlorophenoxy)benzoic acid

C13H8Cl2O3 — CID 62946411

IUPAC2-chloro-4-(2-chlorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H8Cl2O3/c14-10-3-1-2-4-12(10)18-8-5-6-9(13(16)17)11(15)7-8/h1-7H,(H,16,17)
InChIKeyMYEWBNAGWABUMX-UHFFFAOYSA-N
MW283.11 g/mol
LogP4.48
Rot. Bonds3

About 2-chloro-4-(2-chlorophenoxy)benzoic acid

2-chloro-4-(2-chlorophenoxy)benzoic acid (PubChem CID 62946411) has the molecular formula C13H8Cl2O3 and a molecular weight of 283.11 g/mol. Its IUPAC name is 2-chloro-4-(2-chlorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2-chlorophenoxy)benzoic acid
PubChem CID62946411
Molecular FormulaC13H8Cl2O3
Molecular Weight283.11 g/mol
Exact Mass281.99
IUPAC Name2-chloro-4-(2-chlorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H8Cl2O3/c14-10-3-1-2-4-12(10)18-8-5-6-9(13(16)17)11(15)7-8/h1-7H,(H,16,17)
InChIKeyMYEWBNAGWABUMX-UHFFFAOYSA-N
XLogP4.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
CID 62703071
6-(2-chlorophenoxy)quinoline-4-carboxylic acid
CID 102941682
4-(3-bromophenoxy)-2-chlorobenzoic acid
CID 63512624
2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid
CID 63514015
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
4-(4-bromo-2-fluorophenoxy)-2-chlorobenzoic acid
CID 62946581
4-(4-tert-butylphenoxy)-2-chlorobenzoic acid
CID 63512968
2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid
CID 164580629
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63515238
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
4-(4-bromo-3,5-dimethylphenoxy)-2-chlorobenzoic acid
CID 107726797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chlorophenoxy)benzoic acid?
The IUPAC name of 2-chloro-4-(2-chlorophenoxy)benzoic acid (CID 62946411) is 2-chloro-4-(2-chlorophenoxy)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2-chlorophenoxy)benzoic acid?
The canonical SMILES for 2-chloro-4-(2-chlorophenoxy)benzoic acid is O=C(O)c1ccc(Oc2ccccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-chlorophenoxy)benzoic acid?
The InChIKey is MYEWBNAGWABUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3/c14-10-3-1-2-4-12(10)18-8-5-6-9(13(16)17)11(15)7-8/h1-7H,(H,16,17).
What are the key properties of 2-chloro-4-(2-chlorophenoxy)benzoic acid?
2-chloro-4-(2-chlorophenoxy)benzoic acid has a molecular weight of 283.11 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chlorophenoxy)benzoic acid is sourced from PubChem (CID 62946411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).