2-(1-Adamantyl)-4-bromophenol

C₁₆H₁₉BrOCAS 104224-68-2307.23 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₁₆H₁₉BrO
Molar mass: 307.23 g/mol
Exact mass: 306.0619 Da
logP: 4.62Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

104224-68-2

SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)Br)O

InChIKey

NYJXKHIVLGWPCF-UHFFFAOYSA-N

InChI

InChI=1S/C16H19BrO/c17-13-1-2-15(18)14(6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,18H,3-5,7-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(1-Adamantyl)-4-bromophenol

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-(1-Adamantyl)-4-bromoanisole104224-63-759 % similar 4-Bromo-2-tert-butylphenol10323-39-451 % similar 4-Bromocatechol17345-77-647 % similar 2,4-Dibromophenol615-58-744 % similar 5-Bromo-2-hydroxybenzyl alcohol2316-64-543 % similar 4-Bromo-2-chlorophenol3964-56-543 % similar 4-Bromo-2-fluorophenol2105-94-442 % similar 4-Bromo-2-methylphenol2362-12-142 % similar

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

Elsewhere

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