chempirical

3-Methoxy-4-methylbenzaldehyde

C9H10O2CAS 24973-22-6150.18 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Melting point
45–46 °C
logP
1.82Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
24973-22-6
SMILES
COc1cc(C=O)ccc1C
InChIKey
TVDHPUFLDYYBPO-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-7-3-4-8(6-10)5-9(7)11-2/h3-6H,1-2H3

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Names and synonyms

3 names
  • Benzaldehyde, 3-methoxy-4-methyl-
  • m-Anisaldehyde, 4-methyl-
  • 3-Methoxy-p-tolualdehyde

Work with 3-Methoxy-4-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

4-Methoxy-3-methylbenzaldehyde32723-67-474 % similar Vanillin121-33-562 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-562 % similar 4-Chloro-3-methoxybenzaldehyde13726-16-462 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-662 % similar 3,4-Dimethylbenzaldehyde5973-71-760 % similar 4-Methoxy-2,5-dimethylbenzaldehyde6745-75-158 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-057 % 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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