4-Methoxy-3,5-dimethylbenzoic acid

C₁₀H₁₂O₃CAS 21553-46-8180.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
Melting point: 192–193 °C
logP: 2.01Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

21553-46-8

SMILES

COc1c(C)cc(C(=O)O)cc1C

InChIKey

WXVQURJGDUNJCS-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 4-methoxy-3,5-dimethyl-
p-Anisic acid, 3,5-dimethyl-
3,5-Dimethyl-4-methoxybenzoic acid
3,5-Dimethyl-p-anisic acid

Work with 4-Methoxy-3,5-dimethylbenzoic acid

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

Eudesmic acid118-41-266 % similar 3,5-Dimethoxybenzoic acid1132-21-459 % similar 4-Hydroxy-3,5-dimethylbenzoic acid4919-37-359 % similar 3,5-Dimethoxy-4-methylbenzoic acid61040-81-159 % similar 3-Methoxy-4-methylbenzoic acid7151-68-058 % similar 3-Hydroxy-4,5-dimethoxybenzoic acid1916-08-157 % similar 4-Benzyloxy-3,5-dimethylbenzoic acid97888-80-755 % similar 3,4-Dimethylbenzoic acid619-04-555 % 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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