2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone

C15H12Cl2O4S — CID 11337309

IUPAC2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2O4S/c1-22(19,20)12-5-2-10(3-6-12)15(18)9-21-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3
InChIKeyFFCQDQXVUPXKHA-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.66
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone

2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 11337309) has the molecular formula C15H12Cl2O4S and a molecular weight of 359.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID11337309
Molecular FormulaC15H12Cl2O4S
Molecular Weight359.23 g/mol
Exact Mass357.98
IUPAC Name2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2O4S/c1-22(19,20)12-5-2-10(3-6-12)15(18)9-21-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3
InChIKeyFFCQDQXVUPXKHA-UHFFFAOYSA-N
XLogP3.66
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 55403495
1-(4-iodophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612905
1-(3,4-dichlorophenyl)-2-(3,5-dimethylphenoxy)ethanone
CID 43412378
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7744622
2-(3,4-dichlorophenoxy)-1-(3-nitrophenyl)ethanone
CID 18184732
(3R)-5-[2-(3,4-dichlorophenoxy)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9196934
2-chloro-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 102674505
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 7432976

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone (CID 11337309) is 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)COc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is FFCQDQXVUPXKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O4S/c1-22(19,20)12-5-2-10(3-6-12)15(18)9-21-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 359.23 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 11337309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).