4-Hydroxyadamantan-2-one

C₁₀H₁₄O₂CAS 26278-43-3166.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄O₂
Molar mass: 166.22 g/mol
Exact mass: 166.0994 Da
logP: 0.98Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

26278-43-3

SMILES

C1C2CC3CC1C(C(C2)C3=O)O

InChIKey

MDHZLHGRJCMNLA-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-9,11H,1-4H2

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Names and synonyms

1 names

4-Hydroxy-2-adamantone

Work with 4-Hydroxyadamantan-2-one

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

Adamantanone700-58-346 % similar 2-Adamantanol700-57-243 % similar Bicyclo[2.2.1]heptane-2-carboxylic acid824-62-436 % similar Nortricyclenone-3695-05-635 % similar 5-Hydroxy-2-adamantanone20098-14-032 % similar

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

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 (-)-Camphorquinone10334-26-6 Camphorquinone10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

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