2-(4-Methoxyphenoxy)propionic acid

C₁₀H₁₂O₄CAS 13794-15-5196.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
Melting point: 90 °C
Boiling point: 173–175 °C (at 1 Torr)
logP: 1.55Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation31.3% of notifiers
H319 Causes serious eye irritation31.3% of notifiers
H335 May cause respiratory irritation31.3% of notifiers

Aggregated from 131 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13794-15-5

SMILES

COc1ccc(OC(C)C(=O)O)cc1

InChIKey

MIEKOFWWHVOKQX-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

6 names

Propanoic acid, 2-(4-methoxyphenoxy)-
Propionic acid, 2-(p-methoxyphenoxy)-
2-(4-Methoxyphenoxy)propanoic acid
Lactisol
NSC 352144
2-(p-Methoxyphenoxy)propionic acid

Work with 2-(4-Methoxyphenoxy)propionic 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-(4-Hydroxy-phenoxy)-propionic acid67648-61-773 % similar Hydroxyphenoxy propionic acid94050-90-573 % similar DL-2-Phenoxypropionic acid940-31-870 % similar 2-(4-Chlorophenoxy)propionic acid3307-39-969 % similar 2-(4-(Trifluoromethoxy)phenoxy)propanoic acid175204-35-063 % similar Clofop26129-32-863 % similar 4-Methoxymandelic acid10502-44-057 % similar 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2,5-Dimethoxyphenylacetic acid1758-25-4 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-2 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

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