4-Iodo-2,6-dimethylphenol

C₈H₉IOCAS 10570-67-9248.06 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₈H₉IO
Molar mass: 248.06 g/mol
Exact mass: 247.9698 Da
Melting point: 99.5–100.5 °C
logP: 2.61Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

10570-67-9

SMILES

Cc1cc(I)cc(C)c1O

InChIKey

HUUNIMCCAGNBDF-UHFFFAOYSA-N

InChI

InChI=1S/C8H9IO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3

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

Names and synonyms

5 names

Phenol, 4-iodo-2,6-dimethyl-
2,6-Xylenol, 4-iodo-
2,6-Dimethyl-4-iodophenol
4-Iodo-2,6-xylenol
4-Iodo-2,6-methylphenol

Work with 4-Iodo-2,6-dimethylphenol

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

3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diol2417-04-162 % similar Mesitol527-60-659 % similar 2,6-Dimethylhydroquinone654-42-259 % similar 4-Chloro-2,6-dimethylphenol1123-63-354 % similar 4-Bromo-2,6-dimethylphenol2374-05-254 % similar Tetramethyl bisphenol F5384-21-454 % similar 2,4,6-Triiodophenol609-23-452 % similar 4-Iodo-2,6-dimethylbenzenamine4102-53-850 % similar

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

Same formula

4-Iodo-2,5-dimethylphenol114971-53-8 1-Ethoxy-4-iodobenzene699-08-1

Elsewhere

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