chempirical

Methyl 4-methoxy-2-methylbenzoate

C10H12O3CAS 35598-05-1180.20 g/mol

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OOO
EsterEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
logP
1.79Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
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
35598-05-1
SMILES
CC1=C(C=CC(=C1)OC)C(=O)OC
InChIKey
OGYAVWKYDVBIMW-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-7-6-8(12-2)4-5-9(7)10(11)13-3/h4-6H,1-3H3

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Work with Methyl 4-methoxy-2-methylbenzoate

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

Methyl 2,4-dimethoxybenzoate2150-41-669 % similar Methyl 4-methoxysalicylate5446-02-665 % similar Methyl 2-amino-5-methoxybenzoate2475-80-162 % similar Methyl 4-hydroxy-2-methylbenzoate57556-31-762 % similar 4-Methoxy-2-methylbenzoic acid6245-57-462 % similar Methyl 5-methoxysalicylate2905-82-061 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-361 % similar Methyl 4-formyl-2-methylbenzoate74733-23-659 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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