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

C13H8ClIO3 — CID 63459076

IUPAC5-chloro-2-(4-iodophenoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1ccc(I)cc1
InChIInChI=1S/C13H8ClIO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17)
InChIKeyFQUPRHYBJBONFZ-UHFFFAOYSA-N
MW374.56 g/mol
LogP4.44
Rot. Bonds3

About 5-chloro-2-(4-iodophenoxy)benzoic acid

5-chloro-2-(4-iodophenoxy)benzoic acid (PubChem CID 63459076) has the molecular formula C13H8ClIO3 and a molecular weight of 374.56 g/mol. Its IUPAC name is 5-chloro-2-(4-iodophenoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(4-iodophenoxy)benzoic acid
PubChem CID63459076
Molecular FormulaC13H8ClIO3
Molecular Weight374.56 g/mol
Exact Mass373.92
IUPAC Name5-chloro-2-(4-iodophenoxy)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1ccc(I)cc1
InChIInChI=1S/C13H8ClIO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17)
InChIKeyFQUPRHYBJBONFZ-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

4-chloro-2-(4-iodophenoxy)benzoic acid
CID 63514896
5-chloro-2-[4-(2-methylpropanoylamino)phenoxy]benzoic acid
CID 20648118
2-(4-fluorophenoxy)-5-iodobenzoic acid
CID 70332778
5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649327
5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
CID 63460743
2-(4-bromophenoxy)-4-chlorobenzoic acid
CID 55225362
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
2-amino-5-(4-iodophenoxy)benzoic acid
CID 60987724
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
5-bromo-2-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114896165

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-iodophenoxy)benzoic acid?
The IUPAC name of 5-chloro-2-(4-iodophenoxy)benzoic acid (CID 63459076) is 5-chloro-2-(4-iodophenoxy)benzoic acid.
What is the SMILES notation for 5-chloro-2-(4-iodophenoxy)benzoic acid?
The canonical SMILES for 5-chloro-2-(4-iodophenoxy)benzoic acid is O=C(O)c1cc(Cl)ccc1Oc1ccc(I)cc1.
What is the InChIKey of 5-chloro-2-(4-iodophenoxy)benzoic acid?
The InChIKey is FQUPRHYBJBONFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17).
What are the key properties of 5-chloro-2-(4-iodophenoxy)benzoic acid?
5-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 5-chloro-2-(4-iodophenoxy)benzoic acid is sourced from PubChem (CID 63459076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).