1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one

C₈H₇FO₂CAS 403-14-5154.14 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₈H₇FO₂
Molar mass: 154.14 g/mol
Exact mass: 154.0430 Da
logP: 1.73Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

403-14-5

SMILES

CC(=O)C1=CC(=C(C=C1)O)F

InChIKey

GSWTXZXGONEVJC-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3

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

Names and synonyms

1 names

3'-Fluoro-4'-hydroxyacetophenone

Work with 1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one

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′-Dihydroxyacetophenone1197-09-768 % similar 1-(3,4-Difluorophenyl)ethanone369-33-568 % similar 3-Fluoro-4-hydroxybenzoic acid350-29-862 % similar 4′-Hydroxy-3′-methylacetophenone876-02-862 % similar 4'-Chloro-3'-fluoroacetophenone151945-84-560 % similar 1-(3-Chloro-4-hydroxyphenyl)ethanone2892-29-760 % similar 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-660 % similar 4'-Hydroxy-3'-(trifluoromethyl)acetophenone149105-11-359 % 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 4-Fluoro-3-methoxybenzaldehyde128495-46-5 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 2-Fluoro-3-methylbenzoic acid315-31-1

Elsewhere

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