chempirical

1-Chloro-3-methoxy-2-methylbenzene

C8H9ClOCAS 3260-88-6156.61 g/mol

Open in Covalent MOL file
OCl
Aryl halideEther

Properties

Molecular formula
C8H9ClO
Molar mass
156.61 g/mol
Exact mass
156.0342 Da
Boiling point
213.5 °C
logP
2.66Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
3260-88-6
SMILES
COc1cccc(Cl)c1C
InChIKey
LTVRGAWOEOKGJZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-chloro-3-methoxy-2-methyl-
  • Anisole, 3-chloro-2-methyl-
  • 3-Chloro-2-methylanisole
  • 2-Chloro-6-methoxytoluene
  • 2-Methyl-3-chloroanisole
  • 6-Chloro-2-methoxytoluene
  • 2-Methoxy-6-chlorotoluene

Work with 1-Chloro-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethoxytoluene5673-07-471 % similar 2-Chloroanisole766-51-865 % similar 3-Methoxy-2-methylaniline19500-02-861 % similar 2,3-Dichloroanisole1984-59-461 % similar 2,3-Dimethylanisole2944-49-261 % similar 2,6-Dichlorotoluene118-69-458 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-654 % similar 3-Chloro-2-methylaniline87-60-554 % 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

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