4-Iodophenoxyacetic acid

C₈H₇IO₃CAS 1878-94-0278.05 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₇IO₃
Molar mass: 278.05 g/mol
Exact mass: 277.9440 Da
Melting point: 155–156 °C
logP: 1.75Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

1878-94-0

SMILES

O=C(O)COc1ccc(I)cc1

InChIKey

RKORKXFKXYYHAQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7IO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Acetic acid, 2-(4-iodophenoxy)-
Acetic acid, (p-iodophenoxy)-
Acetic acid, (4-iodophenoxy)-
2-(4-Iodophenoxy)acetic acid
p-Iodophenoxyacetic acid

Work with 4-Iodophenoxyacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-678 % similar (4-Hydroxyphenoxy)acetic acid1878-84-866 % similar Phenoxyacetic acid122-59-865 % similar 4-Chlorophenoxyacetic acid122-88-364 % similar 4-Methoxyphenoxyacetic acid1877-75-464 % similar 2-(4-Bromophenoxy)acetic acid1878-91-764 % similar 4-Fluorophenoxyacetic acid405-79-864 % similar (4-Methylphenoxy)acetic acid940-64-764 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-hydroxy-4-iodobenzoate18179-39-0 Methyl 5-iodosalicylate4068-75-1 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook