[1,1′-Bicyclohexyl]-4,4′-diol

C12H22O2CAS 20601-38-1198.31 g/mol

Open in Covalent MOL file
HOOH
Alcohol

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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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 (1,1'-Bi(cyclohexane))-2,2'-diol17385-36-3 γ-Dodecalactone2305-05-7

Elsewhere

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