Deoxyarbutin

C₁₁H₁₄O₃CAS 53936-56-4194.23 g/mol

Open in Covalent MOL file

Acetal Ether Phenol

Properties

Molecular formula: C₁₁H₁₄O₃
Molar mass: 194.23 g/mol
Exact mass: 194.0943 Da
logP: 2.30Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53936-56-4

SMILES

C1CCOC(C1)OC2=CC=C(C=C2)O

InChIKey

GFBCWCDNXDKFRH-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2

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Work with Deoxyarbutin

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-Bromophenoxy)tetrahydro-2H-pyran36603-49-370 % similar 4-(Tetrahydro-2H-pyran-2-yloxy)phenylboronic Acid (contains varying amounts of Anhydride)182281-01-264 % similar 4-(Difluoromethoxy)phenol87789-47-744 % similar 2-(Oxan-2-yloxy)ethan-1-ol2162-31-441 % similar 4-(Heptyloxy)phenol13037-86-041 % similar 4-(Hexyloxy)phenol18979-55-041 % similar 4-(Octyloxy)phenol3780-50-541 % similar 4-Cyclohexylphenol1131-60-840 % similar

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

Same formula

Zingerone122-48-5 Ethyl 4-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Methyl 3-(4-methoxyphenyl)propanoate15823-04-8 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4

Elsewhere

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