2-(3-acetylphenoxy)-1-cyclohexylethanone

C16H20O3 — CID 115582273

IUPAC2-(3-acetylphenoxy)-1-cyclohexylethanone
SMILESCC(=O)c1cccc(OCC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H20O3/c1-12(17)14-8-5-9-15(10-14)19-11-16(18)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11H2,1H3
InChIKeyIDKOQZOGSGKNQQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.42
Rot. Bonds5

About 2-(3-acetylphenoxy)-1-cyclohexylethanone

2-(3-acetylphenoxy)-1-cyclohexylethanone (PubChem CID 115582273) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-cyclohexylethanone
PubChem CID115582273
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-(3-acetylphenoxy)-1-cyclohexylethanone
SMILESCC(=O)c1cccc(OCC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H20O3/c1-12(17)14-8-5-9-15(10-14)19-11-16(18)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11H2,1H3
InChIKeyIDKOQZOGSGKNQQ-UHFFFAOYSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
(3-acetylphenyl) cyclohexanecarboxylate
CID 86975498
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
CID 95788640
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735606
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902946
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-cyclohexylethanone?
The IUPAC name of 2-(3-acetylphenoxy)-1-cyclohexylethanone (CID 115582273) is 2-(3-acetylphenoxy)-1-cyclohexylethanone.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-cyclohexylethanone?
The canonical SMILES for 2-(3-acetylphenoxy)-1-cyclohexylethanone is CC(=O)c1cccc(OCC(=O)C2CCCCC2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-cyclohexylethanone?
The InChIKey is IDKOQZOGSGKNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-12(17)14-8-5-9-15(10-14)19-11-16(18)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11H2,1H3.
What are the key properties of 2-(3-acetylphenoxy)-1-cyclohexylethanone?
2-(3-acetylphenoxy)-1-cyclohexylethanone has a molecular weight of 260.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-cyclohexylethanone is sourced from PubChem (CID 115582273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).