chempirical

3-Fluoro-4-methylanisole

C8H9FOCAS 405-06-1140.16 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
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 the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
405-06-1
SMILES
CC1=C(C=C(C=C1)OC)F
InChIKey
WQOHEWKWIJOAHQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3

Weigh it out

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

Work with 3-Fluoro-4-methylanisole

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

1,2-Difluoro-4-methoxybenzene115144-40-667 % similar 3,4-Dimethylanisole4685-47-663 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-762 % similar 2-Fluoro-4-methoxyaniline458-52-660 % similar 2-Fluoro-4-methoxyphenol167683-93-458 % similar 4-Bromo-3-fluoroanisole408-50-458 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-458 % similar 1-Chloro-2-fluoro-4-methoxybenzene501-29-158 % 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 4-Fluoro-1-methoxy-2-methylbenzene399-54-2 2-Fluoro-4-methylanisole399-55-3 3-Fluoro-α-methylbenzenemethanol402-63-1

Elsewhere

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