1-Fluoro-4-methoxy-2-methylbenzene

C8H9FOCAS 2338-54-7140.16 g/mol

Open in Covalent MOL file
OF
Aryl halideEther

Properties

Molecular formula
C8H9FO
Molar mass
140.16 g/mol
Exact mass
140.0637 Da
Boiling point
174–175 °C (at 762 Torr)
logP
2.14Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
2338-54-7
SMILES
COc1ccc(F)c(C)c1
InChIKey
XZBXPBDJLUJLEU-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3

Weigh it out

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Names and synonyms

4 names
  • Benzene, 1-fluoro-4-methoxy-2-methyl-
  • Anisole, 4-fluoro-3-methyl-
  • 2-Fluoro-5-methoxytoluene
  • 4-Fluoro-3-methylanisole

Work with 1-Fluoro-4-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

3-Fluoro-4-methylanisole405-06-171 % similar 1,2-Difluoro-4-methoxybenzene115144-40-667 % similar 3,4-Dimethylanisole4685-47-663 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-762 % similar 2,5-Dimethoxytoluene24599-58-459 % similar 3-Bromo-4-fluoroanisole1161497-23-958 % similar 2-Chloro-1-fluoro-4-methoxybenzene202925-07-358 % similar 4-Methoxy-2-methylaniline102-50-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-1-(4-Fluorophenyl)ethanol101219-68-5 (-)-1-(4-Fluorophenyl)ethanol101219-73-2 (S)-1-(2-Fluorophenyl)ethanol171032-87-4 3-Fluoro-4-methylbenzyl alcohol192702-79-7 4-Fluoro-1-methoxy-2-methylbenzene399-54-2 2-Fluoro-4-methylanisole399-55-3 3-Fluoro-alpha-methylbenzenemethanol402-63-1 1-(4-Fluorophenyl)ethanol403-41-8

Elsewhere

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