1-(4-cyclopentylsulfanylphenyl)propan-1-one

C14H18OS — CID 82496466

IUPAC1-(4-cyclopentylsulfanylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H18OS/c1-2-14(15)11-7-9-13(10-8-11)16-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyXKOMFZBBBFBUNW-UHFFFAOYSA-N
MW234.36 g/mol
LogP4.31
Rot. Bonds4

About 1-(4-cyclopentylsulfanylphenyl)propan-1-one

1-(4-cyclopentylsulfanylphenyl)propan-1-one (PubChem CID 82496466) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(4-cyclopentylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclopentylsulfanylphenyl)propan-1-one
PubChem CID82496466
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-(4-cyclopentylsulfanylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H18OS/c1-2-14(15)11-7-9-13(10-8-11)16-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyXKOMFZBBBFBUNW-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(4-cyclopentylsulfanylphenyl)ethanone
CID 82490225
3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one
CID 96676025
1-(4-cyclohexylsulfanylphenyl)ethanone
CID 60885973
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650
2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
CID 106848056
methyl 2-(4-cyclopentylsulfanylanilino)butanoate
CID 115352806
N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 37400585
2-[1-(4-cyclopentylsulfanylphenyl)ethylideneamino]guanidine
CID 172795345
2-(4-cyclopentylsulfanylanilino)acetamide
CID 96676524
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylsulfanylphenyl)propan-1-one?
The IUPAC name of 1-(4-cyclopentylsulfanylphenyl)propan-1-one (CID 82496466) is 1-(4-cyclopentylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-cyclopentylsulfanylphenyl)propan-1-one?
The canonical SMILES for 1-(4-cyclopentylsulfanylphenyl)propan-1-one is CCC(=O)c1ccc(SC2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentylsulfanylphenyl)propan-1-one?
The InChIKey is XKOMFZBBBFBUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-2-14(15)11-7-9-13(10-8-11)16-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3.
What are the key properties of 1-(4-cyclopentylsulfanylphenyl)propan-1-one?
1-(4-cyclopentylsulfanylphenyl)propan-1-one has a molecular weight of 234.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 82496466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).