1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone

C16H22O4 — CID 115582293

IUPAC1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
SMILESCOc1cc(OC)cc(OCC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22O4/c1-18-13-8-14(19-2)10-15(9-13)20-11-16(17)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3
InChIKeyICQUOXKOGAZJKD-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.23
Rot. Bonds6

About 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone

1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone (PubChem CID 115582293) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
PubChem CID115582293
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
SMILESCOc1cc(OC)cc(OCC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22O4/c1-18-13-8-14(19-2)10-15(9-13)20-11-16(17)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3
InChIKeyICQUOXKOGAZJKD-UHFFFAOYSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclohexyl-2-oxoethoxy)-5-methoxybenzonitrile
CID 103567984
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone
CID 102278898
2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113449047
1-(azepan-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 112978566
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
CID 103201857
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104751738
2-(3-acetylphenoxy)-1-cyclohexylethanone
CID 115582273
2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone (CID 115582293) is 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone is COc1cc(OC)cc(OCC(=O)C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone?
The InChIKey is ICQUOXKOGAZJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-18-13-8-14(19-2)10-15(9-13)20-11-16(17)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone?
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone has a molecular weight of 278.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone is sourced from PubChem (CID 115582293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).