1-Fluoro-3,5-dimethoxybenzene

C₈H₉FO₂CAS 52189-63-6156.16 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₉FO₂
Molar mass: 156.16 g/mol
Exact mass: 156.0587 Da
Boiling point: 88 °C (at 6 Torr)
logP: 1.84Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

52189-63-6

SMILES

COc1cc(F)cc(OC)c1

InChIKey

IWFKMNAEFPEIOY-UHFFFAOYSA-N

InChI

InChI=1S/C8H9FO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3

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

Names and synonyms

4 names

Benzene, 1-fluoro-3,5-dimethoxy-
3,5-Dimethoxyfluorobenzene
1,3-Dimethoxy-5-fluorobenzene
3,5-Dimethoxy-1-fluorobenzene

Work with 1-Fluoro-3,5-dimethoxybenzene

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

1,3-Difluoro-5-methoxybenzene93343-10-389 % similar 1-Chloro-3-fluoro-5-methoxybenzene202925-08-468 % similar 1,3,5-Trimethoxybenzene621-23-867 % similar 1-Fluoro-3-methoxybenzene456-49-563 % similar 4-Fluoroanisole459-60-957 % similar 3,5-Dimethoxytoluene4179-19-552 % similar 3,5-Dimethoxyaniline10272-07-850 % similar 3,5-Dimethoxyphenol500-99-250 % similar

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

Same formula

(4-Fluoro-3-methoxyphenyl)methanol128495-45-4 1-Fluoro-2,4-dimethoxybenzene17715-70-7 2-Fluoro-4-methoxybenzenemethanol405-09-4 2-Fluoro-1,4-dimethoxybenzene82830-49-7

Elsewhere

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