2-(1-hydroxycyclohexyl)cyclohexan-1-one

C12H20O2 — CID 566680

IUPAC2-(1-hydroxycyclohexyl)cyclohexan-1-one
SMILESO=C1CCCCC1C1(O)CCCCC1
InChIInChI=1S/C12H20O2/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h10,14H,1-9H2
InChIKeyAERVJOBGBMEFDV-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.44
Rot. Bonds1

About 2-(1-hydroxycyclohexyl)cyclohexan-1-one

2-(1-hydroxycyclohexyl)cyclohexan-1-one (PubChem CID 566680) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)cyclohexan-1-one
PubChem CID566680
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(1-hydroxycyclohexyl)cyclohexan-1-one
SMILESO=C1CCCCC1C1(O)CCCCC1
InChIInChI=1S/C12H20O2/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h10,14H,1-9H2
InChIKeyAERVJOBGBMEFDV-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-hydroxycyclohexyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propanone, 1-(1-hydroxycyclohexyl)-
CID 91383
8-Hydroxy-p-menthan-3-one
CID 3014189
(4aS,10aS)-4a-hydroxy-2,3,4,5,6,7,8,9,10,10a-decahydrobenzo[8]annulen-1-one
CID 101687715
1-Hydroxy-(1,1'-bi(cyclohexane))-4-one
CID 65918142
2-Cyclohexyl-2-(1-hydroxycyclohexyl)propanoic acid
CID 343739
8-Hydroxymenthone
CID 13614904
trans-(2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
CID 21630930
3-(2-Hydroxypropan-2-yl)cyclohexan-1-one
CID 71351818
(4aS,8aR)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 15440509
1-Hydroxycyclohexyl ketone
CID 18471209
(4aS,8aS)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 40488528
8-Hydroxy-8-methyldodecan-6-one
CID 91090728

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)cyclohexan-1-one?
The IUPAC name of 2-(1-hydroxycyclohexyl)cyclohexan-1-one (CID 566680) is 2-(1-hydroxycyclohexyl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)cyclohexan-1-one?
The canonical SMILES for 2-(1-hydroxycyclohexyl)cyclohexan-1-one is O=C1CCCCC1C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)cyclohexan-1-one?
The InChIKey is AERVJOBGBMEFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h10,14H,1-9H2.
What are the key properties of 2-(1-hydroxycyclohexyl)cyclohexan-1-one?
2-(1-hydroxycyclohexyl)cyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 566680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).