1-cyclohexyl-2-hydroxypropan-1-one

C9H16O2 — CID 11073665

IUPAC1-cyclohexyl-2-hydroxypropan-1-one
SMILESCC(O)C(=O)C1CCCCC1
InChIInChI=1S/C9H16O2/c1-7(10)9(11)8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3
InChIKeyYQLMBNLBZVIGSG-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.52
Rot. Bonds2

About 1-cyclohexyl-2-hydroxypropan-1-one

1-cyclohexyl-2-hydroxypropan-1-one (PubChem CID 11073665) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-cyclohexyl-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-hydroxypropan-1-one
PubChem CID11073665
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name1-cyclohexyl-2-hydroxypropan-1-one
SMILESCC(O)C(=O)C1CCCCC1
InChIInChI=1S/C9H16O2/c1-7(10)9(11)8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3
InChIKeyYQLMBNLBZVIGSG-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Serricornin
CID 194454
(S)-3-hydroxytridecan-4-one
CID 24892809
3-Hydroxytridecan-4-one
CID 53262910
(3R)-3-hydroxytridecan-4-one
CID 44194477
(3S)-3-hydroxyundecan-4-one
CID 44194480
(2S)-3-cyclohexyl-2-hydroxypropanoic acid
CID 12756210
4-Hydroxytetradecan-5-one
CID 57396727
(2S)-2-hydroxydodecan-3-one
CID 57400164
(3S)-3-hydroxydodecan-4-one
CID 44194478
(3R)-3-hydroxydodecan-4-one
CID 44194479
(3R)-3-hydroxyundecan-4-one
CID 44194569
2-Hydroxydecan-3-one
CID 12524094

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-hydroxypropan-1-one?
The IUPAC name of 1-cyclohexyl-2-hydroxypropan-1-one (CID 11073665) is 1-cyclohexyl-2-hydroxypropan-1-one.
What is the SMILES notation for 1-cyclohexyl-2-hydroxypropan-1-one?
The canonical SMILES for 1-cyclohexyl-2-hydroxypropan-1-one is CC(O)C(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-hydroxypropan-1-one?
The InChIKey is YQLMBNLBZVIGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(10)9(11)8-5-3-2-4-6-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-2-hydroxypropan-1-one?
1-cyclohexyl-2-hydroxypropan-1-one has a molecular weight of 156.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-hydroxypropan-1-one is sourced from PubChem (CID 11073665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).