2-(4-Hydroxy-phenoxy)-propionic acid

C₉H₁₀O₄CAS 67648-61-7182.17 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Phenol

Properties

Molecular formula: C₉H₁₀O₄
Molar mass: 182.17 g/mol
Exact mass: 182.0579 Da
Melting point: 144 °C
logP: 1.24Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation58.8% of notifiers
H318 Causes serious eye damage41.2% of notifiers
H319 Causes serious eye irritation58.8% of notifiers
H335 May cause respiratory irritation58.8% of notifiers

Aggregated from 68 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

67648-61-7

SMILES

CC(Oc1ccc(O)cc1)C(=O)O

InChIKey

AQIHDXGKQHFBNW-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,10H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

11 names

2-(4-Hydroxyphenoxy)propionic acid
Propanoic acid, 2-(4-hydroxyphenoxy)-
Propionic acid, 2-(p-hydroxyphenoxy)-
2-(4-Hydroxyphenoxy)propanoic acid
2-(p-Hydroxyphenoxy)propionic acid
α-(p-Hydroxyphenoxy)propionic acid
(±)-2-(4-Hydroxyphenoxy)propionic acid
Methyl (±)-2-(4-hydroxyphenoxy)propanoate
O-(4-Hydroxyphenyl)lactic acid
NSC 522955
Radianskin PW LS 9918

Work with 2-(4-Hydroxy-phenoxy)-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Hydroxyphenoxy propionic acid94050-90-5Defined stereoisomer

Similar compounds

2-(4-Methoxyphenoxy)propionic acid13794-15-573 % similar DL-2-Phenoxypropionic acid940-31-872 % similar 2-(4-Chlorophenoxy)propionic acid3307-39-971 % similar 2-(4-(Trifluoromethoxy)phenoxy)propanoic acid175204-35-065 % similar Clofop26129-32-865 % similar Methyl (2R)-2-(4-hydroxyphenoxy)propanoate96562-58-264 % similar (±)-2-(3-Chlorophenoxy)propionic acid101-10-056 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-551 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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