Methyl (2R)-2-(4-hydroxyphenoxy)propanoate

C₁₀H₁₂O₄CAS 96562-58-2196.20 g/mol

Open in Covalent MOL file

Ester Ether Phenol

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
Melting point: 62–64 °C
logP: 1.33Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Danger

H318 Causes serious eye damageSerious eye damage/eye irritation
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-361-00-9), via PubChem.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P501

Identifiers

CAS number

96562-58-2

SMILES

COC(=O)[C@@H](C)Oc1ccc(O)cc1

InChIKey

UUYSCNGPNOYZMC-SSDOTTSWSA-N

InChI

InChI=1S/C10H12O4/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7,11H,1-2H3/t7-/m1/s1

Weigh it out

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

Names and synonyms

6 names

Propanoic acid, 2-(4-hydroxyphenoxy)-, methyl ester, (2R)-
Propanoic acid, 2-(4-hydroxyphenoxy)-, methyl ester, (R)-
Methyl (+)-2-(4-hydroxyphenoxy)propionate
(R)-2-(4-Hydroxyphenoxy)propionic acid methyl ester
Methyl (R)-2-(4-hydroxyphenoxy)propionate
Methyl (R)-(+)-2-(4-hydroxyphenoxy)propionate

Work with Methyl (2R)-2-(4-hydroxyphenoxy)propanoate

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 acid67648-61-764 % similar Hydroxyphenoxy propionic acid94050-90-564 % similar Methyl (alphaR)-alpha-amino-4-hydroxybenzeneacetate37763-23-853 % similar Diclofop-methyl51338-27-352 % similar Methyl L-tyrosinate1080-06-449 % similar D-4-Hydroxyphenylglycine methyl ester hydrochloride57591-61-449 % similar Methyl 4-hydroxycinnamate19367-38-546 % similar Methyl p-coumarate3943-97-346 % 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-(4-Methoxyphenoxy)propionic acid13794-15-5 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

Elsewhere

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