chempirical

Methyl 2-hydroxy-4-iodobenzoate

C8H7IO3CAS 18179-39-0278.05 g/mol

Open in Covalent MOL file
OOIHO
Aryl halideEsterPhenol

Properties

Molecular formula
C8H7IO3
Molar mass
278.05 g/mol
Exact mass
277.9440 Da
Melting point
60 °C
logP
1.78Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
18179-39-0
SMILES
COC(=O)c1ccc(I)cc1O
InChIKey
WUFUURSWOJROKY-UHFFFAOYSA-N
InChI
InChI=1S/C8H7IO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3

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

Names and synonyms

5 names
  • Benzoic acid, 2-hydroxy-4-iodo-, methyl ester
  • Salicylic acid, 4-iodo-, methyl ester
  • Methyl 4-iodosalicylate
  • Methyl 4-iodo-2-hydroxybenzoate
  • 2-Hydroxy-4-iodobenzoic acid methyl ester

Work with Methyl 2-hydroxy-4-iodobenzoate

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

Methyl 4-amino-2-hydroxybenzoate4136-97-468 % similar Methyl 2,4-dihydroxybenzoate2150-47-267 % similar Methyl 2-hydroxy-p-toluate4670-56-865 % similar Methyl 4-fluoro-2-hydroxybenzoate392-04-163 % similar Methyl 4-methoxysalicylate5446-02-663 % similar Methyl 2-amino-5-iodobenzoate77317-55-659 % similar Methyl salicylate119-36-858 % similar Methyl 3-hydroxy-2-naphthoate883-99-856 % similar

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

Same formula

4-Iodophenoxyacetic acid1878-94-0 Methyl 5-iodosalicylate4068-75-1 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-8

Elsewhere

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