[1,1′-Bicyclohexyl]-4,4′-diol

C₁₂H₂₂O₂CAS 20601-38-1198.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₂O₂
Molar mass: 198.31 g/mol
Exact mass: 198.1620 Da
Melting point: 204–207 °C
logP: 2.09Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

20601-38-1

SMILES

OC1CCC(C2CCC(O)CC2)CC1

InChIKey

MZXNOAWIRQFYDB-UHFFFAOYSA-N

InChI

InChI=1S/C12H22O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-14H,1-8H2

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

Names and synonyms

6 names

[Bicyclohexyl]-4,4′-diol
4,4′-Dihydroxybicyclohexyl
4,4′-Bicyclohexanediol
4,4′-Dihydroxydicyclohexane
Bis(4-hydroxycyclohexyl)
[1,1′-Bi(cyclohexane)]-4,4′-diol

Work with [1,1′-Bicyclohexyl]-4,4′-diol

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

Cyclopropanol16545-68-975 % similar 1,4-Cyclohexanediol556-48-975 % similar trans-1,4-Cyclohexanediol6995-79-575 % similar 4-Isopropylcyclohexanol4621-04-961 % similar Decahydro-2-naphthalenol825-51-458 % similar (Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-ol82832-72-257 % similar Cyclobutanol2919-23-553 % similar Cyclopentanol96-41-353 % similar

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 γ-Dodecalactone2305-05-7 Menthyl acetate2623-23-6

Elsewhere

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