4-[(4-Fluorophenyl)methoxy]benzaldehyde

C₁₄H₁₁FO₂CAS 56442-17-2230.24 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₁₄H₁₁FO₂
Molar mass: 230.24 g/mol
Exact mass: 230.0743 Da
Melting point: 99–100 °C
logP: 3.22Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

56442-17-2

SMILES

O=Cc1ccc(OCc2ccc(F)cc2)cc1

InChIKey

QGULWBQOCMQNFD-UHFFFAOYSA-N

InChI

InChI=1S/C14H11FO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2

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

Names and synonyms

3 names

Benzaldehyde, 4-[(4-fluorophenyl)methoxy]-
4-(4-Fluorobenzyloxy)benzaldehyde
4-(4′-Fluorobenzyloxy)benzaldehyde

Work with 4-[(4-Fluorophenyl)methoxy]benzaldehyde

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-(Benzyloxy)benzaldehyde4397-53-968 % similar 4-[(4-Bromophenyl)methoxy]benzaldehyde149833-95-467 % similar 4-(4-Fluorophenoxy)benzaldehyde137736-06-264 % similar 4-Fluorobenzaldehyde459-57-460 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-559 % similar 4-(4-Nitrobenzyloxy)benzaldehyde67565-48-459 % similar 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-758 % similar 4-[(3,4-Dichlorobenzyl)oxy]benzaldehyde66742-56-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluoro-4'-methoxybenzophenone345-89-1 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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