4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene

C16H17ClOS — CID 143050843

IUPAC4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene
SMILESCCc1ccc(-c2ccc(Cl)cc2)cc1CS(C)=O
InChIInChI=1S/C16H17ClOS/c1-3-12-4-5-14(10-15(12)11-19(2)18)13-6-8-16(17)9-7-13/h4-10H,3,11H2,1-2H3
InChIKeyNSILWMNIPIZKAD-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.45
Rot. Bonds4

About 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene

4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene (PubChem CID 143050843) has the molecular formula C16H17ClOS and a molecular weight of 292.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene
PubChem CID143050843
Molecular FormulaC16H17ClOS
Molecular Weight292.83 g/mol
Exact Mass292.07
IUPAC Name4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene
SMILESCCc1ccc(-c2ccc(Cl)cc2)cc1CS(C)=O
InChIInChI=1S/C16H17ClOS/c1-3-12-4-5-14(10-15(12)11-19(2)18)13-6-8-16(17)9-7-13/h4-10H,3,11H2,1-2H3
InChIKeyNSILWMNIPIZKAD-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenyl)-2-ethyl-1-methylbenzene
CID 22968913
5-(4-chlorophenyl)-3-ethylpyridin-2-amine
CID 142402687
ethyl 2-[5-(4-chlorophenyl)-2-ethylphenyl]-2-oxoacetate
CID 66691355
[acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate
CID 59445909
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689
butane;1-chloro-4-(3-methylphenyl)benzene
CID 143529938
methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
CID 12732375
N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
CID 115482556
3-[5-(4-chlorophenyl)-2-ethylphenyl]bicyclo[3.2.1]oct-6-ene-2,4-dione
CID 131731828
(4-chloro-2-methylsulfinylphenyl)methanamine
CID 68917399

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene?
The IUPAC name of 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene (CID 143050843) is 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene.
What is the SMILES notation for 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene?
The canonical SMILES for 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene is CCc1ccc(-c2ccc(Cl)cc2)cc1CS(C)=O.
What is the InChIKey of 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene?
The InChIKey is NSILWMNIPIZKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClOS/c1-3-12-4-5-14(10-15(12)11-19(2)18)13-6-8-16(17)9-7-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene?
4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene has a molecular weight of 292.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene is sourced from PubChem (CID 143050843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).