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

C13H8ClIO3 — CID 63514896

IUPAC4-chloro-2-(4-iodophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ccc(I)cc1
InChIInChI=1S/C13H8ClIO3/c14-8-1-6-11(13(16)17)12(7-8)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17)
InChIKeyAXQWFKMJQPVPAZ-UHFFFAOYSA-N
MW374.56 g/mol
LogP4.44
Rot. Bonds3

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

4-chloro-2-(4-iodophenoxy)benzoic acid (PubChem CID 63514896) has the molecular formula C13H8ClIO3 and a molecular weight of 374.56 g/mol. Its IUPAC name is 4-chloro-2-(4-iodophenoxy)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(4-iodophenoxy)benzoic acid
PubChem CID63514896
Molecular FormulaC13H8ClIO3
Molecular Weight374.56 g/mol
Exact Mass373.92
IUPAC Name4-chloro-2-(4-iodophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1Oc1ccc(I)cc1
InChIInChI=1S/C13H8ClIO3/c14-8-1-6-11(13(16)17)12(7-8)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17)
InChIKeyAXQWFKMJQPVPAZ-UHFFFAOYSA-N
XLogP4.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(4-iodophenoxy)benzoic acid
CID 63459076
2-(4-bromophenoxy)-4-chlorobenzoic acid
CID 55225362
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612
2-hydroxy-4-(4-iodophenoxy)benzoic acid
CID 164953547
3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
4-chloro-2-(5-chloro-2-nitrophenoxy)benzoic acid
CID 63082703
4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931
4-chloro-2-(2,3-difluorophenoxy)benzoic acid
CID 63082872
4-chloro-2-(3-fluoro-5-nitrophenoxy)benzoic acid
CID 61396053
4-chloro-2-methylsulfonyloxybenzoic acid
CID 18977944

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-iodophenoxy)benzoic acid?
The IUPAC name of 4-chloro-2-(4-iodophenoxy)benzoic acid (CID 63514896) is 4-chloro-2-(4-iodophenoxy)benzoic acid.
What is the SMILES notation for 4-chloro-2-(4-iodophenoxy)benzoic acid?
The canonical SMILES for 4-chloro-2-(4-iodophenoxy)benzoic acid is O=C(O)c1ccc(Cl)cc1Oc1ccc(I)cc1.
What is the InChIKey of 4-chloro-2-(4-iodophenoxy)benzoic acid?
The InChIKey is AXQWFKMJQPVPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIO3/c14-8-1-6-11(13(16)17)12(7-8)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17).
What are the key properties of 4-chloro-2-(4-iodophenoxy)benzoic acid?
4-chloro-2-(4-iodophenoxy)benzoic acid has a molecular weight of 374.56 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-iodophenoxy)benzoic acid is sourced from PubChem (CID 63514896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).