1-(2-hydroxycyclohexyl)ethanone

C8H14O2 — CID 13215571

IUPAC1-(2-hydroxycyclohexyl)ethanone
SMILESCC(=O)C1CCCCC1O
InChIInChI=1S/C8H14O2/c1-6(9)7-4-2-3-5-8(7)10/h7-8,10H,2-5H2,1H3
InChIKeyGPYOABAXMVHVBU-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds1

About 1-(2-hydroxycyclohexyl)ethanone

1-(2-hydroxycyclohexyl)ethanone (PubChem CID 13215571) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)ethanone
PubChem CID13215571
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-(2-hydroxycyclohexyl)ethanone
SMILESCC(=O)C1CCCCC1O
InChIInChI=1S/C8H14O2/c1-6(9)7-4-2-3-5-8(7)10/h7-8,10H,2-5H2,1H3
InChIKeyGPYOABAXMVHVBU-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Hydroxymethyl)-2-octanone
CID 62148
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
2-(Hydroxymethyl)cyclohexanone
CID 21406
methyl (1S,2S)-2-hydroxycyclohexane-1-carboxylate
CID 642634
Cyclopentanone, 2-(1-hydroxyheptyl)-
CID 11008912
Methyl 2-hydroxycyclohexanecarboxylate
CID 97999
2-(3-Hydroxypropyl)cyclohexan-1-one
CID 12244234
(3S)-3-Hydroxy-2,2-dimethylcyclohexan-1-one
CID 11018979
4-(1-Hydroxyethyl)cyclohexanone
CID 14482736
trans-Methyl 2-hydroxycyclohexanecarboxylate
CID 12495768
3-Hydroxy-2-methylcyclohexan-1-one
CID 58085536
(5R)-3-Hydroxymenthone
CID 11988137

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-(2-hydroxycyclohexyl)ethanone (CID 13215571) is 1-(2-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-(2-hydroxycyclohexyl)ethanone is CC(=O)C1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)ethanone?
The InChIKey is GPYOABAXMVHVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(9)7-4-2-3-5-8(7)10/h7-8,10H,2-5H2,1H3.
What are the key properties of 1-(2-hydroxycyclohexyl)ethanone?
1-(2-hydroxycyclohexyl)ethanone has a molecular weight of 142.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 13215571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).