1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone

C16H22O2 — CID 115582250

IUPAC1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)C2CCCCC2)cc1C
InChIInChI=1S/C16H22O2/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyNIVHAAAIPYHGGV-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.83
Rot. Bonds4

About 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone

1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone (PubChem CID 115582250) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
PubChem CID115582250
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)C2CCCCC2)cc1C
InChIInChI=1S/C16H22O2/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3
InChIKeyNIVHAAAIPYHGGV-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053
2-(4-bromo-3-methylphenoxy)-1-cyclopentylethanone
CID 104752208
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
2-(3-acetylphenoxy)-1-cyclohexylethanone
CID 115582273
(3S)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 81120930
2-(3,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636323
1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
CID 103201857
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 104751881

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone (CID 115582250) is 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone is Cc1ccc(OCC(=O)C2CCCCC2)cc1C.
What is the InChIKey of 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone?
The InChIKey is NIVHAAAIPYHGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone?
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone is sourced from PubChem (CID 115582250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).