chempirical

4-Fluoro-3-methoxybenzaldehyde

C8H7FO2CAS 128495-46-5154.14 g/mol

Open in Covalent MOL file
OOF
AldehydeAryl halideEther

Properties

Molecular formula
C8H7FO2
Molar mass
154.14 g/mol
Exact mass
154.0430 Da
Melting point
29–30 °C
Boiling point
93 °C (at 4.5 Torr)
logP
1.65Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
128495-46-5
SMILES
COc1cc(C=O)ccc1F
InChIKey
NALVGTOMKSKFFV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3

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

Names and synonyms

4 names
  • 4-Fluoro-m-anisaldehyde
  • Benzaldehyde, 4-fluoro-3-methoxy-
  • 3-Methoxy-4-fluorobenzaldehyde
  • 4-Fluoro-5-methoxybenzaldehyde

Work with 4-Fluoro-3-methoxybenzaldehyde

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-methoxybenzaldehyde351-54-275 % similar 3,4-Difluorobenzaldehyde34036-07-263 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-662 % similar Vanillin121-33-560 % similar 4-Chloro-3-methoxybenzaldehyde13726-16-460 % similar 4-Fluoro-3-phenoxybenzaldehyde68359-57-959 % similar 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde79418-78-359 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-457 % similar

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

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 2-Fluoro-6-methoxybenzaldehyde146137-74-8 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2 α-Fluorobenzeneacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 3-Fluorophenylacetic acid331-25-9 2-Fluoro-4-methoxybenzaldehyde331-64-6

Elsewhere

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