1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one

C17H24OS — CID 65139678

IUPAC1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one
SMILESCc1ccc(C)c(CC(=O)CSC2CCCCC2)c1
InChIInChI=1S/C17H24OS/c1-13-8-9-14(2)15(10-13)11-16(18)12-19-17-6-4-3-5-7-17/h8-10,17H,3-7,11-12H2,1-2H3
InChIKeyZYGNQHUDNJWTFA-UHFFFAOYSA-N
MW276.44 g/mol
LogP4.48
Rot. Bonds5

About 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one

1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one (PubChem CID 65139678) has the molecular formula C17H24OS and a molecular weight of 276.44 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one
PubChem CID65139678
Molecular FormulaC17H24OS
Molecular Weight276.44 g/mol
Exact Mass276.15
IUPAC Name1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one
SMILESCc1ccc(C)c(CC(=O)CSC2CCCCC2)c1
InChIInChI=1S/C17H24OS/c1-13-8-9-14(2)15(10-13)11-16(18)12-19-17-6-4-3-5-7-17/h8-10,17H,3-7,11-12H2,1-2H3
InChIKeyZYGNQHUDNJWTFA-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
1-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848
1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
CID 65138899
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 60643768
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
1-(2,5-dimethylphenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543612
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931
2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone
CID 65140079
1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139930
1-cyclopentylsulfanyl-3-phenylpropan-2-one
CID 63115475

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one?
The IUPAC name of 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one (CID 65139678) is 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one is Cc1ccc(C)c(CC(=O)CSC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one?
The InChIKey is ZYGNQHUDNJWTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OS/c1-13-8-9-14(2)15(10-13)11-16(18)12-19-17-6-4-3-5-7-17/h8-10,17H,3-7,11-12H2,1-2H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one?
1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one has a molecular weight of 276.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(2,5-dimethylphenyl)propan-2-one is sourced from PubChem (CID 65139678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).