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

C13H9IO4 — CID 164953547

IUPAC2-hydroxy-4-(4-iodophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(I)cc2)cc1O
InChIInChI=1S/C13H9IO4/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7,15H,(H,16,17)
InChIKeyUOSLDYUSIYCLHI-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.49
Rot. Bonds3

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

2-hydroxy-4-(4-iodophenoxy)benzoic acid (PubChem CID 164953547) has the molecular formula C13H9IO4 and a molecular weight of 356.12 g/mol. Its IUPAC name is 2-hydroxy-4-(4-iodophenoxy)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(4-iodophenoxy)benzoic acid
PubChem CID164953547
Molecular FormulaC13H9IO4
Molecular Weight356.12 g/mol
Exact Mass355.95
IUPAC Name2-hydroxy-4-(4-iodophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(I)cc2)cc1O
InChIInChI=1S/C13H9IO4/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7,15H,(H,16,17)
InChIKeyUOSLDYUSIYCLHI-UHFFFAOYSA-N
XLogP3.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(4-iodophenoxy)benzoic acid
CID 60987724
4-(4-iodophenoxy)phenol
CID 12940617
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
4-chloro-2-(4-iodophenoxy)benzoic acid
CID 63514896
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
2-hydroxy-4-(2-methylphenoxy)benzoic acid
CID 164975487
2,4-dihydroxybenzoic acid
CID 1491
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid
CID 175703106
5-chloro-2-(4-iodophenoxy)benzoic acid
CID 63459076
2-[(2-hydroxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67343612

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4-iodophenoxy)benzoic acid?
The IUPAC name of 2-hydroxy-4-(4-iodophenoxy)benzoic acid (CID 164953547) is 2-hydroxy-4-(4-iodophenoxy)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(4-iodophenoxy)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(4-iodophenoxy)benzoic acid is O=C(O)c1ccc(Oc2ccc(I)cc2)cc1O.
What is the InChIKey of 2-hydroxy-4-(4-iodophenoxy)benzoic acid?
The InChIKey is UOSLDYUSIYCLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IO4/c14-8-1-3-9(4-2-8)18-10-5-6-11(13(16)17)12(15)7-10/h1-7,15H,(H,16,17).
What are the key properties of 2-hydroxy-4-(4-iodophenoxy)benzoic acid?
2-hydroxy-4-(4-iodophenoxy)benzoic acid has a molecular weight of 356.12 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-iodophenoxy)benzoic acid is sourced from PubChem (CID 164953547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).