2-(3-stibonophenoxy)acetic acid

C8H9O6Sb — CID 70690511

IUPAC2-(3-stibonophenoxy)acetic acid
SMILESO=C(O)COc1cccc([Sb](=O)(O)O)c1
InChIInChI=1S/C8H7O3.2H2O.O.Sb/c9-8(10)6-11-7-4-2-1-3-5-7;;;;/h1-2,4-5H,6H2,(H,9,10);2*1H2;;/q;;;;+2/p-2
InChIKeyFIZWTKQFFUTYMN-UHFFFAOYSA-L
MW322.91 g/mol
LogP-1.29
Rot. Bonds4

About 2-(3-stibonophenoxy)acetic acid

2-(3-stibonophenoxy)acetic acid (PubChem CID 70690511) has the molecular formula C8H9O6Sb and a molecular weight of 322.91 g/mol. Its IUPAC name is 2-(3-stibonophenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-stibonophenoxy)acetic acid
PubChem CID70690511
Molecular FormulaC8H9O6Sb
Molecular Weight322.91 g/mol
Exact Mass321.94
IUPAC Name2-(3-stibonophenoxy)acetic acid
SMILESO=C(O)COc1cccc([Sb](=O)(O)O)c1
InChIInChI=1S/C8H7O3.2H2O.O.Sb/c9-8(10)6-11-7-4-2-1-3-5-7;;;;/h1-2,4-5H,6H2,(H,9,10);2*1H2;;/q;;;;+2/p-2
InChIKeyFIZWTKQFFUTYMN-UHFFFAOYSA-L
XLogP-1.29
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.91
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-(3-chlorosulfanylphenoxy)acetic acid
CID 19384692
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407
2-[3-(2-fluorophenyl)phenoxy]acetic acid
CID 39349094
2-[3-(carboxymethylsulfanyl)phenoxy]acetic acid
CID 86229245
2-[3-(2-aminoacetyl)phenoxy]acetic acid
CID 70628823

Frequently Asked Questions

What is the IUPAC name of 2-(3-stibonophenoxy)acetic acid?
The IUPAC name of 2-(3-stibonophenoxy)acetic acid (CID 70690511) is 2-(3-stibonophenoxy)acetic acid.
What is the SMILES notation for 2-(3-stibonophenoxy)acetic acid?
The canonical SMILES for 2-(3-stibonophenoxy)acetic acid is O=C(O)COc1cccc([Sb](=O)(O)O)c1.
What is the InChIKey of 2-(3-stibonophenoxy)acetic acid?
The InChIKey is FIZWTKQFFUTYMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H7O3.2H2O.O.Sb/c9-8(10)6-11-7-4-2-1-3-5-7;;;;/h1-2,4-5H,6H2,(H,9,10);2*1H2;;/q;;;;+2/p-2.
What are the key properties of 2-(3-stibonophenoxy)acetic acid?
2-(3-stibonophenoxy)acetic acid has a molecular weight of 322.91 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-stibonophenoxy)acetic acid is sourced from PubChem (CID 70690511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).