1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone

C14H18OS — CID 116505606

IUPAC1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C14H18OS/c1-2-16-10-14(15)13-8-6-12(7-9-13)11-4-3-5-11/h6-9,11H,2-5,10H2,1H3
InChIKeyWIGQYHZFBPQSKK-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone

1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone (PubChem CID 116505606) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
PubChem CID116505606
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
SMILESCCSCC(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C14H18OS/c1-2-16-10-14(15)13-8-6-12(7-9-13)11-4-3-5-11/h6-9,11H,2-5,10H2,1H3
InChIKeyWIGQYHZFBPQSKK-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone
CID 116505609
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
CID 116553849
1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 116505636
2-ethylsulfanyl-1-phenylethanone
CID 2776060
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105131775
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cyclobutylphenyl)-2-methylbutan-1-one
CID 116505591
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
4-chloro-1-(4-cyclobutylphenyl)butan-1-one
CID 116505632

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone (CID 116505606) is 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone is CCSCC(=O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone?
The InChIKey is WIGQYHZFBPQSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-2-16-10-14(15)13-8-6-12(7-9-13)11-4-3-5-11/h6-9,11H,2-5,10H2,1H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone?
1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone has a molecular weight of 234.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone is sourced from PubChem (CID 116505606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).