chempirical

Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate

C11H12O4CAS 105560-93-8208.21 g/mol

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EpoxideEsterEther

Properties

Molecular formula
C11H12O4
Molar mass
208.21 g/mol
Exact mass
208.0736 Da
Melting point
87–88 °C
logP
1.31Crippen estimate
Polar surface area
48.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
105560-93-8
SMILES
COC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1
InChIKey
CVZUMGUZDAWOGA-VHSXEESVSA-N
InChI
InChI=1S/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3/t9-,10+/m0/s1

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Names and synonyms

5 names
  • 2-Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester, (2R,3S)-
  • Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester, (2R-trans)-
  • Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester, (2R,3S)-
  • (2R,3S)-3-(4-Methoxyphenyl)glycidic acid methyl ester
  • Methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

Work with Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate

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

Methyl anisate121-98-245 % similar Ethyl 3-phenylglycidate121-39-144 % similar 4-Methoxymandelic acid10502-44-043 % similar 1,3-Dimethyl 2-[(4-methoxyphenyl)methylene]propanedioate7443-25-643 % similar 4,4′-Dimethoxybenzoin119-52-842 % similar 4-Isopropylanisole4132-48-342 % similar Methyl 4-methoxybenzeneacetate23786-14-341 % similar Methyl α-phenylbenzeneacetate3469-00-941 % similar

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

Same formula

Ethyl caffeate102-37-4 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-9 3,4-Dimethoxycinnamic acid14737-89-4 (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-4 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-8 Methyl 4-methoxy-β-oxobenzenepropanoate22027-50-5 Methyl ferulate2309-07-1 3′,4′-Dimethoxycinnamic acid2316-26-9

Elsewhere

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