2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone

C16H22O2S — CID 60884096

IUPAC2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CSC1CCCCC1
InChIInChI=1S/C16H22O2S/c1-2-18-16-11-7-6-10-14(16)15(17)12-19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKeyOEOZHLIDHWCLOJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.33
Rot. Bonds6

About 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone

2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone (PubChem CID 60884096) has the molecular formula C16H22O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
PubChem CID60884096
Molecular FormulaC16H22O2S
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CSC1CCCCC1
InChIInChI=1S/C16H22O2S/c1-2-18-16-11-7-6-10-14(16)15(17)12-19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3
InChIKeyOEOZHLIDHWCLOJ-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
CID 43794243
1-(2-ethoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635347
cyclododecyl 2-ethoxybenzenecarboperoxoate
CID 173265751
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 62037237
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 40537881
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226
ethyl 4-[2-(cyclohexylmethoxy)phenyl]-4-oxobutanoate
CID 11723416

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone (CID 60884096) is 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)CSC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone?
The InChIKey is OEOZHLIDHWCLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S/c1-2-18-16-11-7-6-10-14(16)15(17)12-19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone?
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone has a molecular weight of 278.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 60884096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).