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

C16H22O3 — CID 60863000

IUPAC1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C16H22O3/c1-18-15-9-8-12(11-16(15)19-2)10-14(17)13-6-4-3-5-7-13/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyRQRXSZYFYBKUPU-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.40
Rot. Bonds5

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

1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 60863000) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID60863000
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C16H22O3/c1-18-15-9-8-12(11-16(15)19-2)10-14(17)13-6-4-3-5-7-13/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyRQRXSZYFYBKUPU-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
2-(3-bromo-4-methoxyphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65423096
1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone
CID 102278898
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate
CID 96523533

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone (CID 60863000) is 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)C2CCCCC2)cc1OC.
What is the InChIKey of 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is RQRXSZYFYBKUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-15-9-8-12(11-16(15)19-2)10-14(17)13-6-4-3-5-7-13/h8-9,11,13H,3-7,10H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone?
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 60863000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).