2-(2,5-Dimethylphenoxy)acetic acid

C₁₀H₁₂O₃CAS 7356-41-4180.20 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: 195–197 °C
logP: 1.77Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

7356-41-4

SMILES

Cc1ccc(C)c(OCC(=O)O)c1

InChIKey

RSJMMLSDGNQOEO-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O3/c1-7-3-4-8(2)9(5-7)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

6 names

Acetic acid, 2-(2,5-dimethylphenoxy)-
Acetic acid, (2,5-xylyloxy)-
Acetic acid, (2,5-dimethylphenoxy)-
(2,5-Dimethylphenoxy)acetic acid
NSC 48915
NSC 62096

Work with 2-(2,5-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-(2,4-Dimethylphenoxy)acetic acid13334-49-178 % similar (2-Methylphenoxy)acetic acid1878-49-565 % similar (4-Methylphenoxy)acetic acid940-64-759 % similar 2-(3,4-Dimethylphenoxy)acetic acid13335-73-459 % similar 2-(3-Methylphenoxy)acetic acid1643-15-857 % similar Mcpa94-74-657 % similar 2,5-Dimethylbenzeneacetic acid13612-34-556 % similar 2-(2,3-Dimethylphenoxy)acetic acid2935-63-956 % 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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