Methyl 3-hydroxy-4-iodobenzoate

C₈H₇IO₃CAS 157942-12-6278.05 g/mol

Open in Covalent MOL file

Aryl halide Ester Phenol

Properties

Molecular formula: C₈H₇IO₃
Molar mass: 278.05 g/mol
Exact mass: 277.9440 Da
logP: 1.78Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

157942-12-6

SMILES

COC(=O)C1=CC(=C(C=C1)I)O

InChIKey

LXCQVWRESZDFGW-UHFFFAOYSA-N

InChI

InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3

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

Names and synonyms

1 names

Methyl-4-iodo-3-hydroxy benzoate

Work with Methyl 3-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 3,4-dihydroxybenzoate2150-43-873 % similar Methyl 4-bromo-3-hydroxybenzoate106291-80-963 % similar Methyl 4-amino-3-hydroxybenzoate63435-16-563 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-062 % similar Methyl vanillate3943-74-659 % similar Methyl 3-chloro-4-hydroxybenzoate3964-57-659 % similar Orthocaine536-25-459 % similar Methyl gallate99-24-158 % similar

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

Same formula

Methyl 2-hydroxy-4-iodobenzoate18179-39-0 4-Iodophenoxyacetic acid1878-94-0 Methyl 5-iodosalicylate4068-75-1 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-8

Elsewhere

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