(4-Bromo-2-methylphenyl)methanol

C₈H₉BrOCAS 17100-58-2201.06 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₉BrO
Molar mass: 201.06 g/mol
Exact mass: 199.9837 Da
logP: 2.25Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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 the 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

17100-58-2

SMILES

CC1=C(C=CC(=C1)Br)CO

InChIKey

IFKWLKCPUIQXPU-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3

Weigh it out

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

Work with (4-Bromo-2-methylphenyl)methanol

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

4-Bromo-2-methylbenzylamine376646-62-761 % similar 2,4-Dimethylbenzyl alcohol16308-92-260 % similar 2,4-Dibromobenzenemethanol666747-06-460 % similar 4-Bromo-2-fluorobenzyl alcohol188582-62-956 % similar 4-Bromo-2-methoxybenzyl alcohol 9717102-63-556 % similar 4-Bromo-o-xylene583-71-154 % similar 5-Bromo-2-hydroxybenzyl alcohol2316-64-553 % similar 4-Bromo-2-methylphenol2362-12-152 % similar

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

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 2-Bromo-4-methylanisole22002-45-5

Elsewhere

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