A1IHP

2-(4-chloranylphenoxy)ethanoic acid

Created:	2024-07-09
Last modified:	2025-04-09

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3 entries where A1IHP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of A1IHP

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Chemical Component Summary
Name	2-(4-chloranylphenoxy)ethanoic acid
Systematic Name (OpenEye OEToolkits)	2-(4-chloranylphenoxy)ethanoic acid
Formula	C₈ H₇ Cl O₃
Molecular Weight	186.592
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)COc1ccc(Cl)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1OCC(=O)O)Cl
Canonical SMILES	CACTVS	3.385	OC(=O)COc1ccc(Cl)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1OCC(=O)O)Cl
InChI	InChI	1.06	InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey	InChI	1.06	SODPIMGUZLOIPE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	26229
ChEMBL	CHEMBL178018
ChEBI	CHEBI:1808

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.