4-Iodo-2,5-dimethylphenol

C₈H₉IOCAS 114971-53-8248.06 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

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

114971-53-8

SMILES

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

InChIKey

RFAXNKKOQUYDKE-UHFFFAOYSA-N

InChI

InChI=1S/C8H9IO/c1-5-4-8(10)6(2)3-7(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

2,5-Dimethyl-4-iodophenol

Work with 4-Iodo-2,5-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

2,5-Dimethylhydroquinone615-90-770 % similar 4-Amino-2,5-dimethylphenol3096-71-752 % similar 1,4-Dihydroxy-2,5-diiodobenzene13064-64-748 % similar 2-Iodo-4-methylphenol16188-57-145 % similar 2,4-Dimethylphenol105-67-943 % similar 4-Methylresorcinol496-73-143 % similar Methylhydroquinone95-71-643 % similar 2,5-Dimethylphenol95-87-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodo-2,6-dimethylphenol10570-67-9 1-Ethoxy-4-iodobenzene699-08-1 4-Iodo-3,5-dimethyl-phenol80826-86-4

Elsewhere

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