2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone

C17H22O2S — CID 114518858

IUPAC2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone
SMILESO=C(CSC1CCCCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H22O2S/c18-17(12-20-16-4-2-1-3-5-16)13-6-8-14(9-7-13)19-15-10-11-15/h6-9,15-16H,1-5,10-12H2
InChIKeyAEIOFJUXZOLWRL-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.48
Rot. Bonds6

About 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone

2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone (PubChem CID 114518858) has the molecular formula C17H22O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone
PubChem CID114518858
Molecular FormulaC17H22O2S
Molecular Weight290.43 g/mol
Exact Mass290.13
IUPAC Name2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone
SMILESO=C(CSC1CCCCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H22O2S/c18-17(12-20-16-4-2-1-3-5-16)13-6-8-14(9-7-13)19-15-10-11-15/h6-9,15-16H,1-5,10-12H2
InChIKeyAEIOFJUXZOLWRL-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520577
2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone
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CID 141109251
1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160832655
1-(3-bromophenyl)-2-cyclohexylsulfanylethanone
CID 60645355
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
CID 115812900
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518972
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 115812924
2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 65139426
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
CID 60884096

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone (CID 114518858) is 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone is O=C(CSC1CCCCC1)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone?
The InChIKey is AEIOFJUXZOLWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2S/c18-17(12-20-16-4-2-1-3-5-16)13-6-8-14(9-7-13)19-15-10-11-15/h6-9,15-16H,1-5,10-12H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone?
2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone has a molecular weight of 290.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone is sourced from PubChem (CID 114518858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).