2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one

C16H15ClOS — CID 43413028

IUPAC2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClOS/c1-11-3-5-13(6-4-11)16(18)12(2)19-15-9-7-14(17)8-10-15/h3-10,12H,1-2H3
InChIKeyPFZWFYQVHOLGMR-UHFFFAOYSA-N
MW290.82 g/mol
LogP5.01
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one

2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one (PubChem CID 43413028) has the molecular formula C16H15ClOS and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
PubChem CID43413028
Molecular FormulaC16H15ClOS
Molecular Weight290.82 g/mol
Exact Mass290.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClOS/c1-11-3-5-13(6-4-11)16(18)12(2)19-15-9-7-14(17)8-10-15/h3-10,12H,1-2H3
InChIKeyPFZWFYQVHOLGMR-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.82
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
CID 43218651
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
CID 43414073
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
CID 115569366
1-(4-chlorophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 16560493
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
CID 114000854
(2R)-1-(4-chlorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 8535342
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
CID 43218364
N-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethyl]-4-methylbenzamide
CID 45142516
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one
CID 43801868

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one (CID 43413028) is 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one?
The InChIKey is PFZWFYQVHOLGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c1-11-3-5-13(6-4-11)16(18)12(2)19-15-9-7-14(17)8-10-15/h3-10,12H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one?
2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one has a molecular weight of 290.82 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 43413028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).