chempirical

(βR)-2-Methoxy-β-[(tetrahydro-2H-pyran-4-yl)oxy]benzeneethanol

C14H20O4CAS 1434652-66-0252.31 g/mol

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Properties

Molecular formula
C14H20O4
Molar mass
252.31 g/mol
Exact mass
252.1362 Da
logP
1.92Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
1434652-66-0
SMILES
COc1ccccc1[C@H](CO)OC1CCOCC1
InChIKey
DBNLRXIWDMHQDJ-AWEZNQCLSA-N
InChI
InChI=1S/C14H20O4/c1-16-13-5-3-2-4-12(13)14(10-15)18-11-6-8-17-9-7-11/h2-5,11,14-15H,6-10H2,1H3/t14-/m0/s1

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Names and synonyms

1 names
  • Benzeneethanol, 2-methoxy-β-[(tetrahydro-2H-pyran-4-yl)oxy]-, (βR)-

Work with (βR)-2-Methoxy-β-[(tetrahydro-2H-pyran-4-yl)oxy]benzeneethanol

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

Guaifenesin93-14-140 % similar 2-Methoxybenzyl alcohol612-16-837 % similar 2-(2-Methoxyphenyl)ethanol7417-18-736 % similar 1,2-Dimethoxybenzene91-16-735 % similar 2-[(2-Methoxyphenoxy)methyl]oxirane2210-74-435 % similar 2-Methoxy-5-methyl-γ-phenylbenzenepropanol124937-73-135 % similar 1-(2-Bromoethoxy)-2-methoxybenzene4463-59-633 % similar Guaiacol90-05-133 % similar

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

Same formula

1,3-Adamantanediacetic acid17768-28-4 3,4-Epoxycyclohexylmethyl-3',4'-epoxycyclohexane carboxylate2386-87-0

Elsewhere

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