4-Iodo-3,5-dimethyl-phenol

C₈H₉IOCAS 80826-86-4248.06 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
logP: 2.61Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

80826-86-4

SMILES

CC1=CC(=CC(=C1I)C)O

InChIKey

RMJZLNUEDDXELD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3,5-Dimethyl-4-iodophenol

Work with 4-Iodo-3,5-dimethyl-phenol

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

2,6-Dimethylhydroquinone654-42-259 % similar 4-Amino-3,5-dimethylphenol3096-70-657 % similar Iodomesitylene4028-63-155 % similar 4-Bromo-3,5-dimethylphenol7463-51-654 % similar Chloroxylenol88-04-054 % similar 3,5-Dimethylphenol108-68-950 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-550 % similar Orcinol504-15-450 % similar

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

Same formula

4-Iodo-2,6-dimethylphenol10570-67-9 4-Iodo-2,5-dimethylphenol114971-53-8 1-Ethoxy-4-iodobenzene699-08-1

Elsewhere

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