1-Bromo-3-methoxy-2-methylbenzene

C8H9BrOCAS 31804-36-1201.06 g/mol

Open in Covalent MOL file
BrO
Aryl halideEther

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
logP
2.77Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
31804-36-1
SMILES
CC1=C(C=CC=C1Br)OC
InChIKey
SBMVNLFBEJAXFY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3

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Work with 1-Bromo-3-methoxy-2-methylbenzene

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-Dimethoxytoluene5673-07-471 % similar 2-Bromoanisole578-57-462 % similar 3-Methoxy-2-methylaniline19500-02-861 % similar 2,3-Dimethylanisole2944-49-261 % similar 1-Bromo-2,3-dimethoxybenzene5424-43-161 % similar 1-Chloro-3-methoxy-2-methylbenzene3260-88-659 % similar 2,6-Dibromotoluene69321-60-458 % similar 1-Bromo-2-fluoro-3-methoxybenzene295376-21-557 % 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 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

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