3-Fluoro-4-hydroxy-5-methoxybenzaldehyde

C₈H₇FO₃CAS 79418-78-3170.14 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether Phenol

Properties

Molecular formula: C₈H₇FO₃
Molar mass: 170.14 g/mol
Exact mass: 170.0379 Da
logP: 1.35Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

79418-78-3

SMILES

COc1cc(C=O)cc(F)c1O

InChIKey

OOGOFUKAJDPHDJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzaldehyde, 3-fluoro-4-hydroxy-5-methoxy-
5-Fluorovanillin
5-Fluoro-4-hydroxy-3-methoxybenzaldehyde
3-Fluoro-5-methoxy-4-hydroxybenzaldehyde

Work with 3-Fluoro-4-hydroxy-5-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

3,4-Dihydroxy-5-methoxybenzaldehyde3934-87-067 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-566 % similar 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-063 % similar 5-Bromovanillin2973-76-463 % similar 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-863 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-559 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-259 % similar 5-Nitrovanillin6635-20-756 % similar

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

Same formula

3-Fluoro-2-methoxybenzoic acid106428-05-1 2-Fluoro-3-methoxybenzoic acid137654-20-7 2-Fluoro-6-methoxybenzoic acid137654-21-8 Methyl 4-fluoro-2-hydroxybenzoate392-04-1 4-Fluoromandelic acid395-33-5 4-Fluoro-2-methoxybenzoic acid395-82-4 3-Fluoro-4-methoxybenzoic acid403-20-3 4-Fluorophenoxyacetic acid405-79-8

Elsewhere

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