4-Chloro-2-methoxy-1-methylbenzene

C₈H₉ClOCAS 40794-04-5156.61 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₉ClO
Molar mass: 156.61 g/mol
Exact mass: 156.0342 Da
logP: 2.66Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

40794-04-5

SMILES

COc1cc(Cl)ccc1C

InChIKey

RFZOGPABZLMDQW-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

6 names

Benzene, 4-chloro-2-methoxy-1-methyl-
Anisole, 5-chloro-2-methyl-
2-Methoxy-4-chlorotoluene
4-Chloro-2-methoxytoluene
5-Chloro-2-methylanisole
NSC 159042

Work with 4-Chloro-2-methoxy-1-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

4-Chloro-1-methoxy-2-methylbenzene3260-85-371 % similar 1,4-Dichloro-2-methoxybenzene1984-58-362 % similar 4-Chloro-2-methoxybenzenamine93-50-560 % similar 2-Methoxy-1,4-dimethylbenzene1706-11-259 % similar 1-Bromo-4-chloro-2-methoxybenzene174913-09-858 % similar 4-Chloro-1,2-dimethylbenzene615-60-156 % similar 3-Methoxy-4-methylaniline16452-01-055 % similar 5-Chloro-2-methoxyaniline95-03-455 % similar

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

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook