1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone

C16H14Cl2O2S — CID 64635884

IUPAC1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
SMILESCc1ccccc1CS(=O)CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2S/c1-11-4-2-3-5-13(11)9-21(20)10-16(19)12-6-7-14(17)15(18)8-12/h2-8H,9-10H2,1H3
InChIKeyJHWMDSLSIGVTNZ-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.43
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone

1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone (PubChem CID 64635884) has the molecular formula C16H14Cl2O2S and a molecular weight of 341.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
PubChem CID64635884
Molecular FormulaC16H14Cl2O2S
Molecular Weight341.26 g/mol
Exact Mass340.01
IUPAC Name1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
SMILESCc1ccccc1CS(=O)CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2S/c1-11-4-2-3-5-13(11)9-21(20)10-16(19)12-6-7-14(17)15(18)8-12/h2-8H,9-10H2,1H3
InChIKeyJHWMDSLSIGVTNZ-UHFFFAOYSA-N
XLogP4.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
CID 64635886
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
4-[(2-methylphenyl)methylsulfinyl]benzoic acid
CID 60709126
1-methoxy-3-[(2-methylphenyl)methylsulfinyl]propan-2-one
CID 107511627
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone
CID 64641102
2-[(R)-(2-methylphenyl)methylsulfinyl]-N-propylacetamide
CID 94800532
1-(3,4-dichlorophenyl)pentane-1,4-dione
CID 43608283
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
CID 47022745
1-[(3-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
CID 51113106
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone (CID 64635884) is 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone is Cc1ccccc1CS(=O)CC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone?
The InChIKey is JHWMDSLSIGVTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2S/c1-11-4-2-3-5-13(11)9-21(20)10-16(19)12-6-7-14(17)15(18)8-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone?
1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone has a molecular weight of 341.26 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone is sourced from PubChem (CID 64635884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).