1-Bromo-3-methoxy-5-methylbenzene

C₈H₉BrOCAS 29578-83-4201.06 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₉BrO
Molar mass: 201.06 g/mol
Exact mass: 199.9837 Da
logP: 2.77Crippen estimate
Polar surface area: 9.2 Å²
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. Search the SDS library

Identifiers

CAS number

29578-83-4

SMILES

CC1=CC(=CC(=C1)Br)OC

InChIKey

AOEVRCZZWJWKPG-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,1-2H3

Weigh it out

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Work with 1-Bromo-3-methoxy-5-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

1-Bromo-3,5-dimethoxybenzene20469-65-271 % similar 1,3-Dibromo-5-methoxybenzene74137-36-371 % similar 3,5-Dimethoxytoluene4179-19-567 % similar 1-Methoxy-3,5-dimethylbenzene874-63-567 % similar 3,5-Dibromotoluene1611-92-358 % similar 5-Bromo-M-xylene556-96-758 % similar 3-Bromo-5-fluoroanisole29578-39-057 % similar 3-Methoxy-5-methylphenol3209-13-053 % 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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