1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one

C17H24OS — CID 65139729

IUPAC1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)CSC2CCCCC2)cc1
InChIInChI=1S/C17H24OS/c1-2-14-8-10-15(11-9-14)12-16(18)13-19-17-6-4-3-5-7-17/h8-11,17H,2-7,12-13H2,1H3
InChIKeyKZRWYGPEYFRECW-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.43
Rot. Bonds6

About 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one

1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one (PubChem CID 65139729) has the molecular formula C17H24OS and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one
PubChem CID65139729
Molecular FormulaC17H24OS
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)CSC2CCCCC2)cc1
InChIInChI=1S/C17H24OS/c1-2-14-8-10-15(11-9-14)12-16(18)13-19-17-6-4-3-5-7-17/h8-11,17H,2-7,12-13H2,1H3
InChIKeyKZRWYGPEYFRECW-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138954
1-cyclopentylsulfanyl-3-phenylpropan-2-one
CID 63115475
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
CID 65138899
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405282
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one
CID 65139678
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931
1-cyclohexylsulfanyl-4-phenylbutan-2-one
CID 65139379
1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
CID 65138544

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one?
The IUPAC name of 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one (CID 65139729) is 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one is CCc1ccc(CC(=O)CSC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one?
The InChIKey is KZRWYGPEYFRECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OS/c1-2-14-8-10-15(11-9-14)12-16(18)13-19-17-6-4-3-5-7-17/h8-11,17H,2-7,12-13H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one?
1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one has a molecular weight of 276.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one is sourced from PubChem (CID 65139729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).