chempirical

4-Methoxy-2-methylbenzaldehyde

C9H10O2CAS 52289-54-0150.18 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
logP
1.82Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
52289-54-0
SMILES
CC1=C(C=CC(=C1)OC)C=O
InChIKey
WICYVKGMEJSDAO-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-7-5-9(11-2)4-3-8(7)6-10/h3-6H,1-2H3

Weigh it out

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Work with 4-Methoxy-2-methylbenzaldehyde

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

2,4-Dimethoxybenzaldehyde613-45-671 % similar 2,5-Dimethoxybenzaldehyde93-02-768 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-364 % similar 2-Fluoro-4-methoxybenzaldehyde331-64-662 % similar 2-Bromo-4-methoxybenzaldehyde43192-31-062 % similar 2-Hydroxy-5-methoxybenzaldehyde672-13-962 % similar 2,5-Dimethoxytoluene24599-58-458 % similar 2-Trifluoromethoxy-4-methoxybenzaldehyde886503-52-258 % similar

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

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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