1-(4-cyclohexylphenyl)-2-methylsulfanylethanone

C15H20OS — CID 71165542

IUPAC1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H20OS/c1-17-11-15(16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyLHIYSPXJUWPFGW-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone

1-(4-cyclohexylphenyl)-2-methylsulfanylethanone (PubChem CID 71165542) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
PubChem CID71165542
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
SMILESCSCC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H20OS/c1-17-11-15(16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyLHIYSPXJUWPFGW-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
CID 116505606
2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone
CID 116505609
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
1-(4-cyclohexylphenyl)octan-1-one
CID 63491113
4-(4-cyclohexylphenyl)-4-oxobutanal
CID 175457718
1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone
CID 18336251
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
CID 116553849
1-(4-cyclohexylphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 3753475

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone (CID 71165542) is 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone is CSCC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone?
The InChIKey is LHIYSPXJUWPFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-17-11-15(16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone?
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone has a molecular weight of 248.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-methylsulfanylethanone is sourced from PubChem (CID 71165542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).