chempirical

2-Benzyloxy-4,5-dimethoxybenzaldehyde

C16H16O4CAS 14382-86-6272.30 g/mol

Open in Covalent MOL file
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AldehydeEther

Properties

Molecular formula
C16H16O4
Molar mass
272.30 g/mol
Exact mass
272.1049 Da
logP
3.10Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
14382-86-6
SMILES
COC1=C(C=C(C(=C1)C=O)OCC2=CC=CC=C2)OC
InChIKey
KTKIPTMZBXMHST-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O4/c1-18-15-8-13(10-17)14(9-16(15)19-2)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3

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Work with 2-Benzyloxy-4,5-dimethoxybenzaldehyde

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-methoxybenzaldehyde2426-87-168 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-064 % similar 2-(Benzyloxy)benzaldehyde5896-17-361 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-060 % similar 3,4-Bis(benzyloxy)benzaldehyde5447-02-952 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-651 % similar 4-(Benzyloxy)-3-methoxybenzoic acid1486-53-950 % similar 4-Benzyloxy-2-formylphenylboronic acid139962-97-348 % similar

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

Same formula

Loureirin C116384-24-8 4,4′-Dimethoxybenzoin119-52-8 Deoxyshikonin43043-74-9 3′-Hydroxypterostilbene475231-21-1

Elsewhere

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