4-Cyclohexylcyclohexanol

Details

• Internal ID: ad70891e-7321-458d-808e-49350ea640ef
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclohexanols
• IUPAC Name: 4-cyclohexylcyclohexan-1-ol
• SMILES (Canonical): C1CCC(CC1)C2CCC(CC2)O
• SMILES (Isomeric): C1CCC(CC1)C2CCC(CC2)O
• InChI: InChI=1S/C12H22O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-13H,1-9H2
• InChI Key: AFKMHDZOVNDWLO-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₂O
• Molecular Weight: 182.30 g/mol
• Exact Mass: 182.167065321 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.80

Synonyms

• 2433-14-9
• [1,1'-Bi(cyclohexan)]-4-ol
• 7335-11-7
• [1,1'-Bicyclohexyl]-4-ol
• [Bicyclohexyl]-4-ol
• cis-4-cyclohexylcyclohexanol
• 4-cyclohexylcyclohexan-1-ol
• cis-[1,1'-Bi(cyclohexan)]-4-ol
• trans-4-cyclohexylcyclohexanol
• [1,1-Bi(cyclohexan)]-4-ol
• 4-Cyclohexylcyclohexanol, trans-
• 2J8AJ0CGGU
• 4-cyclohexyl-1-cyclohexanol
• 895YPF8KUA
• (1,1'-Bicyclohexyl)-4-ol
• 4-Cyclohexylcyclohexanol, cis-
• 7335-42-4
• DTXSID3040722
• Cyclohexanol, 4-cyclohexyl-, cis-
• (1,1'-Bicyclohexyl)-4-ol, cis-
• MFCD00060071
• (1s,4s)-[1,1'-Bi(cyclohexan)]-4-ol
• UNII-895YPF8KUA
• UNII-4UQI40E83Z
• NSC4177
• EINECS 219-418-1
• bi(cyclohexan)-4-ol
• AI3-01133
• UNII-2J8AJ0CGGU
• 4-hydroxycyclohexylcyclohexane
• SCHEMBL787666
• 4UQI40E83Z
• SCHEMBL9396681
• CHEMBL1890154
• DTXCID1020722
• SCHEMBL23715056
• [1,1'-bi(cyclohexane)]-4-ol
• (1s,4s)-4-cyclohexylcyclohexanol
• NSC 4177
• NSC-4177
• Tox21_301763
• AKOS015856373
• SB83936
• SB84286
• NCGC00164229-01
• NCGC00164229-02
• NCGC00255601-01
• AS-58794
• CAS-2433-14-9
• FT-0634272
• FT-0652422
• D89256
• EN300-195755
• F11898
• A817231
• A857001
• A877964
• Q27254813
• Q27270006
• Z1255486288

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3012	Q13946	Phosphodiesterase 7A	90.62%	99.29%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.97%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	84.90%	95.93%
CHEMBL241	Q14432	Phosphodiesterase 3A	84.44%	92.94%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.40%	96.09%
CHEMBL3023	Q9NRA0	Sphingosine kinase 2	82.17%	95.61%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	81.59%	94.78%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.15%	97.25%
CHEMBL218	P21554	Cannabinoid CB1 receptor	80.53%	96.61%

Plants that contains it

• Artemisia monosperma

Cross-Links

• PubChem: 75518
• LOTUS: LTS0146668
• wikiData: Q81976279