4-Hydroxy-3-iodo-5-methoxybenzaldehyde

C₈H₇IO₃CAS 5438-36-8278.05 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether Phenol

Properties

Molecular formula: C₈H₇IO₃
Molar mass: 278.05 g/mol
Exact mass: 277.9440 Da
Melting point: 180 °C
logP: 1.82Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

5438-36-8

SMILES

COc1cc(C=O)cc(I)c1O

InChIKey

FBBCSYADXYILEH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy-
Vanillin, 5-iodo-
5-Iodovanillin
4-Hydroxy-5-iodo-3-methoxybenzaldehyde
5-Iodo-3-methoxy-4-hydroxybenzaldehyde
3-Iodo-5-methoxy-4-hydroxybenzaldehyde
NSC 16678
3-Iodo-4-hydroxy-5-methoxybenzaldehyde

Work with 4-Hydroxy-3-iodo-5-methoxybenzaldehyde

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

3-Iodo-4,5-dimethoxybenzaldehyde32024-15-067 % similar 3,4-Dihydroxy-5-methoxybenzaldehyde3934-87-067 % similar 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-966 % similar 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-063 % similar 5-Bromovanillin2973-76-463 % similar 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde79418-78-363 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-659 % similar 5-Nitrovanillin6635-20-756 % similar

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

Same formula

Methyl 3-hydroxy-4-iodobenzoate157942-12-6 Methyl 2-hydroxy-4-iodobenzoate18179-39-0 4-Iodophenoxyacetic acid1878-94-0 Methyl 5-iodosalicylate4068-75-1

Elsewhere

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