4-Fluoro-4'-methoxybenzophenone

C₁₄H₁₁FO₂CAS 345-89-1230.24 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₁₄H₁₁FO₂
Molar mass: 230.24 g/mol
Exact mass: 230.0743 Da
Melting point: 96–96.5 °C
Boiling point: 208–212 °C (at 22 Torr)
logP: 3.07Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

345-89-1

SMILES

COc1ccc(C(=O)c2ccc(F)cc2)cc1

InChIKey

VWGWRNBIAWTWIB-UHFFFAOYSA-N

InChI

InChI=1S/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3

Weigh it out

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

Names and synonyms

6 names

(4-Fluorophenyl)(4-methoxyphenyl)methanone
4,4′-Fluoromethoxybenzophenone
4-Fluoro-4′methoxybenzophenone
Methanone, (4-fluorophenyl)(4-methoxyphenyl)-
Benzophenone, 4-fluoro-4′-methoxy-
p-(4-Fluorobenzoyl)anisole

Work with 4-Fluoro-4'-methoxybenzophenone

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

4,4′-Dimethoxybenzophenone90-96-078 % similar 4-Methoxybenzophenone611-94-968 % similar 4,4′-Difluorobenzophenone345-92-667 % similar 4-Fluoroanisole459-60-967 % similar 4-Bromo-4'-methoxybenzophenone54118-75-164 % similar 4-Fluoro-4'-methylbenzophenone530-46-159 % similar 4-Fluorobenzophenone345-83-558 % similar 4,4′-Dimethoxybenzil1226-42-255 % similar

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

Same formula

4-[(4-Fluorophenyl)methoxy]benzaldehyde56442-17-2 4-[(3-Fluorophenyl)methoxy]benzaldehyde66742-57-2 2-Fluoro-4'-methoxybenzophenone66938-29-2 4-[(2-Fluorophenyl)methoxy]benzaldehyde70627-20-2

Elsewhere

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