2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone

C15H20OS — CID 106848056

IUPAC2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)CC2CCCC2)cc1
InChIInChI=1S/C15H20OS/c1-2-17-14-9-7-13(8-10-14)15(16)11-12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyZTWZSQLKYMYLFO-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.56
Rot. Bonds5

About 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone

2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone (PubChem CID 106848056) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
PubChem CID106848056
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
SMILESCCSc1ccc(C(=O)CC2CCCC2)cc1
InChIInChI=1S/C15H20OS/c1-2-17-14-9-7-13(8-10-14)15(16)11-12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyZTWZSQLKYMYLFO-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
CID 116917154
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
1-(4-bromophenyl)-2-cyclobutylethanone
CID 65458564
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
ethyl 3-cyclopentyl-2-(4-ethylsulfanylphenyl)propanoate
CID 141028337
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone (CID 106848056) is 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone is CCSc1ccc(C(=O)CC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone?
The InChIKey is ZTWZSQLKYMYLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-2-17-14-9-7-13(8-10-14)15(16)11-12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3.
What are the key properties of 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone?
2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone has a molecular weight of 248.39 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone is sourced from PubChem (CID 106848056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).