1-Bromo-3-methoxy-5-methylbenzene

C8H9BrOCAS 29578-83-4201.06 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

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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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