Ethylvanillin propylene glycol acetal

C₁₂H₁₆O₄CAS 68527-76-4224.26 g/mol

Open in Covalent MOL file

Acetal Ether Phenol

Properties

Molecular formula: C₁₂H₁₆O₄
Molar mass: 224.26 g/mol
Exact mass: 224.1049 Da
logP: 2.22Crippen estimate
Polar surface area: 47.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

68527-76-4

SMILES

CCOc1cc(C2OCC(C)O2)ccc1O

InChIKey

IFUIILQWHYHIEK-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3

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Names and synonyms

2 names

Phenol, 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)-
2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

Work with Ethylvanillin propylene glycol acetal

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

Vanillin propylene glycol acetal68527-74-271 % similar 2-Ethoxy-4-methylphenol2563-07-749 % similar 4-Methyl-2-phenyl-1,3-dioxolane2568-25-445 % similar Ethylvanillin121-32-445 % similar 2-Ethoxyphenol94-71-343 % similar 3-Ethoxy-4-hydroxybenzeneacetic acid80018-50-441 % similar 1-Hydroxy-4-ethoxy-2,3-difluorobenzene126163-56-239 % similar 4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol78919-28-538 % similar

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

Same formula

2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone106797-53-9 Benzo-12-crown-414174-08-4 Ethyl 3,4-dimethoxybenzeneacetate18066-68-7 Pogostone23800-56-8 2-Phenyl-1,3-dioxane-5,5-dimethanol2425-41-4 3,4-Diethoxybenzeneacetic acid38464-04-9 1,3-Adamantanedicarboxylic acid39269-10-8 Olivetolic acid491-72-5

Elsewhere

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