4-Fluoro-1-methoxy-2-methylbenzene

C8H9FOCAS 399-54-2140.16 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
62.5–63 °C (at 11 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 5 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
399-54-2
SMILES
COc1ccc(F)cc1C
InChIKey
QXOBYWRKNIDHJG-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 4-fluoro-1-methoxy-2-methyl-
  • 2-Methyl-4-fluoroanisole
  • 4-Fluoro-2-methylanisole

Work with 4-Fluoro-1-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

4-Fluoro-1,2-dimethoxybenzene398-62-967 % similar 2,4-Difluoroanisole452-10-862 % similar 5-Fluoro-2-methoxyaniline1978-39-860 % similar 2,5-Dimethoxytoluene24599-58-459 % similar 2,4-Dimethylanisole6738-23-459 % similar 2-Chloro-4-fluoro-1-methoxybenzene2267-25-658 % similar 2-Bromo-4-fluoro-1-methoxybenzene452-08-458 % similar 5-Fluoro-2-methoxyphenol72955-97-658 % 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 1-Fluoro-4-methoxy-2-methylbenzene2338-54-7 2-Fluoro-4-methylanisole399-55-3 3-Fluoro-alpha-methylbenzenemethanol402-63-1 1-(4-Fluorophenyl)ethanol403-41-8

Elsewhere

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