2-(3,4-Dimethylphenoxy)acetic acid

C₁₀H₁₂O₃CAS 13335-73-4180.20 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: 162.5 °C
logP: 1.77Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

13335-73-4

SMILES

Cc1ccc(OCC(=O)O)cc1C

InChIKey

GIEQJKZWTIFEJM-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O3/c1-7-3-4-9(5-8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

7 names

Acetic acid, 2-(3,4-dimethylphenoxy)-
Acetic acid, (3,4-xylyloxy)-
Acetic acid, (3,4-dimethylphenoxy)-
(3,4-Dimethylphenoxy)acetic acid
NSC 408600
[(3,4-Dimethylphenyl)oxy]acetic acid
2-[(3,4-Dimethylphenyl)oxy]acetic acid

Work with 2-(3,4-Dimethylphenoxy)acetic 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

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-665 % similar (4-Methylphenoxy)acetic acid940-64-763 % similar 2-(3-Methylphenoxy)acetic acid1643-15-861 % similar 2-(2,5-Dimethylphenoxy)acetic acid7356-41-459 % similar 4-Methoxyphenoxyacetic acid1877-75-458 % similar 4-Iodophenoxyacetic acid1878-94-058 % similar 2-Naphthoxyacetic acid120-23-058 % similar 2-(2,6-Dimethylphenoxy)acetic acid13335-71-257 % 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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