2-Methyl 4-benzyloxybenzaldehyde

C15H14O2CAS 101093-56-5226.28 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C15H14O2
Molar mass
226.28 g/mol
Exact mass
226.0994 Da
logP
3.39Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

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
101093-56-5
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C=O
InChIKey
OGVPJBJWJCZBTH-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-12-9-15(8-7-14(12)10-16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

Weigh it out

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

Work with 2-Methyl 4-benzyloxybenzaldehyde

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-2-methoxybenzaldehyde58026-14-571 % similar 5-Benzyloxy-2-bromotoluene17671-75-959 % similar 4-Benzyloxy-2-formylphenylboronic acid139962-97-358 % similar 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-658 % similar 4-(Benzyloxy)-3,5-dimethylbenzaldehyde144896-51-557 % similar 6-(Benzyloxy)-1H-indole-3-carbaldehyde92855-64-657 % similar 4-(Benzyloxy)benzaldehyde4397-53-956 % similar 4-Methoxy-2-methylbenzaldehyde52289-54-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Cresyl phenylacetate101-94-0 Benzyl phenylacetate102-16-9 4'-Methoxy-2-phenylacetophenone1023-17-2 Methyl 4′-methylbiphenyl-2-carboxylate114772-34-8 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-0 1-(3-(Phenylmethoxy)phenyl)ethan-1-one34068-01-4 Methyl alpha-phenylbenzeneacetate3469-00-9

Elsewhere

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