1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone

C17H24O4 — CID 102278898

IUPAC1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(CC(=O)C2CCCCC2)c(OC)c1
InChIInChI=1S/C17H24O4/c1-19-13-9-16(20-2)14(17(10-13)21-3)11-15(18)12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyFOIIWTMDAVWVIM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.40
Rot. Bonds6

About 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone

1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone (PubChem CID 102278898) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone
PubChem CID102278898
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone
SMILESCOc1cc(OC)c(CC(=O)C2CCCCC2)c(OC)c1
InChIInChI=1S/C17H24O4/c1-19-13-9-16(20-2)14(17(10-13)21-3)11-15(18)12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyFOIIWTMDAVWVIM-UHFFFAOYSA-N
XLogP3.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
1-cyclohexyl-2-(5-methoxy-3,3-dimethylisoindol-1-yl)ethanone
CID 90948759
1-[(2-ethyl-4,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166303450
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
CID 117321866
3-(2-cyclohexyl-2-oxoethoxy)-5-methoxybenzonitrile
CID 103567984
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
CID 96708288
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone (CID 102278898) is 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone is COc1cc(OC)c(CC(=O)C2CCCCC2)c(OC)c1.
What is the InChIKey of 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone?
The InChIKey is FOIIWTMDAVWVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-19-13-9-16(20-2)14(17(10-13)21-3)11-15(18)12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone?
1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone is sourced from PubChem (CID 102278898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).