1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one

C16H15ClOS — CID 58872857

IUPAC1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(C(C)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClOS/c1-11(12-5-9-15(19-2)10-6-12)16(18)13-3-7-14(17)8-4-13/h3-11H,1-2H3
InChIKeyYIZWPACTMPCJKB-UHFFFAOYSA-N
MW290.82 g/mol
LogP5.05
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one

1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one (PubChem CID 58872857) has the molecular formula C16H15ClOS and a molecular weight of 290.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one
PubChem CID58872857
Molecular FormulaC16H15ClOS
Molecular Weight290.82 g/mol
Exact Mass290.05
IUPAC Name1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(C(C)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClOS/c1-11(12-5-9-15(19-2)10-6-12)16(18)13-3-7-14(17)8-4-13/h3-11H,1-2H3
InChIKeyYIZWPACTMPCJKB-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone
CID 54303142
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 68860204
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
3-(4-chlorophenyl)butan-2-one
CID 21269944
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
2-chloro-2-(4-methylsulfanylphenyl)-1-phenylethanone
CID 54342161

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one (CID 58872857) is 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one is CSc1ccc(C(C)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one?
The InChIKey is YIZWPACTMPCJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c1-11(12-5-9-15(19-2)10-6-12)16(18)13-3-7-14(17)8-4-13/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one?
1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one has a molecular weight of 290.82 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 58872857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).