5-(Benzyloxy)-2-bromo-4-methoxybenzaldehyde

C₁₅H₁₃BrO₃CAS 6451-86-1321.17 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₁₅H₁₃BrO₃
Molar mass: 321.17 g/mol
Exact mass: 320.0048 Da
logP: 3.85Crippen 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

6451-86-1

SMILES

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

InChIKey

RUBXMEDWBCBLEZ-UHFFFAOYSA-N

InChI

InChI=1S/C15H13BrO3/c1-18-14-8-13(16)12(9-17)7-15(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3

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Names and synonyms

1 names

2-Bromo-4-methoxy-5-(benzyloxy)benzaldehyde

Work with 5-(Benzyloxy)-2-bromo-4-methoxybenzaldehyde

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

2-Benzyloxy-4,5-dimethoxybenzaldehyde14382-86-674 % similar 6-Bromoveratraldehyde5392-10-967 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-161 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-061 % similar 4-Benzyloxy-2-methoxybenzaldehyde58026-14-560 % similar 2-Bromo-4-methoxy-5-(phenylmethoxy)benzoic acid24958-42-759 % similar 6-Bromo-1,3-benzodioxole-5-carboxaldehyde15930-53-755 % similar 4-Bromo-2,5-dimethoxybenzaldehyde31558-41-553 % similar

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

Same formula

4-(Benzyloxy)-3-bromophenylacetic acid5884-48-0

Elsewhere

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