4-Iodo-2,6-dimethylphenol

C8H9IOCAS 10570-67-9248.06 g/mol

Open in Covalent MOL file
IHO
Aryl halidePhenol

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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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'-Tetramethylbiphenyl-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 4,4'-Methylenebis(2,6-dimethylphenol)5384-21-454 % 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 4-Iodo-3,5-dimethyl-phenol80826-86-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook