2-(4-formyl-2,6-diiodophenoxy)acetic acid

C9H6I2O4 — CID 4763783

IUPAC2-(4-formyl-2,6-diiodophenoxy)acetic acid
SMILESO=Cc1cc(I)c(OCC(=O)O)c(I)c1
InChIInChI=1S/C9H6I2O4/c10-6-1-5(3-12)2-7(11)9(6)15-4-8(13)14/h1-3H,4H2,(H,13,14)
InChIKeyJSFQBZAJDFMNII-UHFFFAOYSA-N
MW431.95 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-formyl-2,6-diiodophenoxy)acetic acid

2-(4-formyl-2,6-diiodophenoxy)acetic acid (PubChem CID 4763783) has the molecular formula C9H6I2O4 and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-(4-formyl-2,6-diiodophenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-formyl-2,6-diiodophenoxy)acetic acid
PubChem CID4763783
Molecular FormulaC9H6I2O4
Molecular Weight431.95 g/mol
Exact Mass431.84
IUPAC Name2-(4-formyl-2,6-diiodophenoxy)acetic acid
SMILESO=Cc1cc(I)c(OCC(=O)O)c(I)c1
InChIInChI=1S/C9H6I2O4/c10-6-1-5(3-12)2-7(11)9(6)15-4-8(13)14/h1-3H,4H2,(H,13,14)
InChIKeyJSFQBZAJDFMNII-UHFFFAOYSA-N
XLogP2.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-formyl-6-iodophenoxy)acetic acid
CID 4763787
2-[3-(carboxymethoxy)-5-formylphenoxy]acetic acid
CID 57316447
2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,6-diiodophenoxy]acetic acid
CID 46497583
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
3-iodo-5-methoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 1247963
2-[2-iodo-6-methoxy-4-(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 126066077
2-(2-fluoro-4-formyl-6-nitrophenoxy)acetic acid
CID 18452147
3,5-diiodo-4-(1-methoxyethoxymethoxy)benzaldehyde
CID 22237442
2-[2-iodo-6-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetic acid
CID 21381427
2-[4-[(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2,6-diiodophenoxy]acetic acid
CID 3959365
2-[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2,6-diiodophenoxy]acetic acid
CID 3995928
2-[2,6-diiodo-4-[(E)-[3-[(2S)-1-methoxy-1-oxopropan-2-yl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 126078907

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2,6-diiodophenoxy)acetic acid?
The IUPAC name of 2-(4-formyl-2,6-diiodophenoxy)acetic acid (CID 4763783) is 2-(4-formyl-2,6-diiodophenoxy)acetic acid.
What is the SMILES notation for 2-(4-formyl-2,6-diiodophenoxy)acetic acid?
The canonical SMILES for 2-(4-formyl-2,6-diiodophenoxy)acetic acid is O=Cc1cc(I)c(OCC(=O)O)c(I)c1.
What is the InChIKey of 2-(4-formyl-2,6-diiodophenoxy)acetic acid?
The InChIKey is JSFQBZAJDFMNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6I2O4/c10-6-1-5(3-12)2-7(11)9(6)15-4-8(13)14/h1-3H,4H2,(H,13,14).
What are the key properties of 2-(4-formyl-2,6-diiodophenoxy)acetic acid?
2-(4-formyl-2,6-diiodophenoxy)acetic acid has a molecular weight of 431.95 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2,6-diiodophenoxy)acetic acid is sourced from PubChem (CID 4763783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).