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

C₁₅H₁₃ClO₃CAS 70205-04-8276.72 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₁₅H₁₃ClO₃
Molar mass: 276.72 g/mol
Exact mass: 276.0553 Da
logP: 3.74Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

70205-04-8

SMILES

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

InChIKey

PNIMHQCVOZNYCG-UHFFFAOYSA-N

InChI

InChI=1S/C15H13ClO3/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-Chlorophenyl)methoxy]-3-methoxybenzaldehyde

Work with 4-[(4-Chlorobenzyl)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-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-773 % 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-fluorophenyl)methoxy]-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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