2-(4-Hydroxyphenyl)propionic acid

C₉H₁₀O₃CAS 938-96-5166.18 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₉H₁₀O₃
Molar mass: 166.18 g/mol
Exact mass: 166.0630 Da
Melting point: 127–127.5 °C
logP: 1.58Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

938-96-5

SMILES

CC(C(=O)O)c1ccc(O)cc1

InChIKey

ZHMMPVANGNPCBW-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

7 names

Benzeneacetic acid, 4-hydroxy-α-methyl-
Hydratropic acid, p-hydroxy-
4-Hydroxy-α-methylbenzeneacetic acid
2-(p-Hydroxyphenyl)-propionic acid
2-(4-Hydroxyphenyl)propanoic acid
Methyl 4-hydroxyphenylacetic acid
2-(4′-Hydroxyphenyl)-propionic acid

Work with 2-(4-Hydroxyphenyl)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-Phenylpropionic acid7782-24-369 % similar (-)-2-Phenylpropionic acid7782-26-569 % similar 4-Chloro-α-methylbenzeneacetic acid938-95-468 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-666 % similar 2-(4-Bromomethyl)phenylpropionic acid111128-12-262 % similar Ibuprofen15687-27-162 % similar (+)-Ibuprofen51146-56-662 % similar (-)-Ibuprofen51146-57-762 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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