4-Benzyloxy-3-ethoxybenzaldehyde

C16H16O3CAS 60186-33-6256.30 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C16H16O3
Molar mass
256.30 g/mol
Exact mass
256.1099 Da
logP
3.48Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
60186-33-6
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC2=CC=CC=C2
InChIKey
NCOFQZRLIYPMNJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O3/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

Weigh it out

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

Work with 4-Benzyloxy-3-ethoxybenzaldehyde

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

3,4-Bis(benzyloxy)benzaldehyde5447-02-983 % similar 3,4-Diethoxybenzaldehyde2029-94-975 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-173 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-073 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-863 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-263 % similar 2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde29668-44-858 % similar Ethylvanillin121-32-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Bis(4-methoxyphenyl)ethanone120-44-5 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-6 2,2-Dimethoxy-2-phenylacetophenone24650-42-8 Ethyl benzilate52182-15-7 Pterostilbene537-42-8 Ethyl 4-(phenylmethoxy)benzoate56441-55-5 4-Benzyloxyphenylacetic acid methyl ester68641-16-7 Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-9

Elsewhere

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