4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde

C₁₅H₁₃FO₃CAS 321432-05-7260.26 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₁₅H₁₃FO₃
Molar mass: 260.26 g/mol
Exact mass: 260.0849 Da
logP: 3.23Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% 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

321432-05-7

SMILES

COC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)F

InChIKey

PGCCPVWYLPJNBO-UHFFFAOYSA-N

InChI

InChI=1S/C15H13FO3/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3

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Names and synonyms

1 names

4-[(4-Fluorobenzyl)oxy]-3-methoxybenzaldehyde

Work with 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde

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)-3-methoxybenzaldehyde2426-87-174 % similar 4-[(4-Chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde70205-04-873 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-066 % similar 3-Methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde81307-09-765 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-260 % similar Veratraldehyde120-14-959 % similar 4-[(2-Chloro-6-fluorobenzyl)oxy]-3-methoxybenzaldehyde306934-75-859 % similar 3,4-Bis(benzyloxy)benzaldehyde5447-02-958 % similar

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

Elsewhere

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