chempirical

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

C10H12O4CAS 96562-58-2196.20 g/mol

Open in Covalent MOL file
OOOOH
EsterEtherPhenol

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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

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-Hydroxyphenoxy)propionic acid67648-61-764 % similar (2R)-2-(4-Hydroxyphenoxy)propanoic acid94050-90-564 % similar Methyl (αR)-α-amino-4-hydroxybenzeneacetate37763-23-853 % similar Diclofop-methyl51338-27-352 % similar Methyl L-tyrosinate1080-06-449 % similar Methyl P-coumarate3943-97-346 % similar Methyl L-tyrosinate hydrochloride3417-91-246 % similar Methyl D-tyrosinate hydrochloride3728-20-946 % 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 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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