2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone

C15H13ClO2S — CID 11150517

IUPAC2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2S/c1-19-14-8-2-11(3-9-14)15(17)10-18-13-6-4-12(16)5-7-13/h2-9H,10H2,1H3
InChIKeyXOZCGJFGOUVDBE-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.32
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone

2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 11150517) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID11150517
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2S/c1-19-14-8-2-11(3-9-14)15(17)10-18-13-6-4-12(16)5-7-13/h2-9H,10H2,1H3
InChIKeyXOZCGJFGOUVDBE-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone (CID 11150517) is 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is XOZCGJFGOUVDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-19-14-8-2-11(3-9-14)15(17)10-18-13-6-4-12(16)5-7-13/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone?
2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 292.79 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 11150517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).