ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene

C16H20O3S — CID 178021932

IUPACethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
SMILESCC.COc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14O3S.C2H6/c1-17-13-7-3-11(4-8-13)12-5-9-14(10-6-12)18(2,15)16;1-2/h3-10H,1-2H3;1-2H3
InChIKeyYIVQDJJYIYINDO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.79
Rot. Bonds3

About ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene

ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene (PubChem CID 178021932) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Nameethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
PubChem CID178021932
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Nameethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
SMILESCC.COc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C14H14O3S.C2H6/c1-17-13-7-3-11(4-8-13)12-5-9-14(10-6-12)18(2,15)16;1-2/h3-10H,1-2H3;1-2H3
InChIKeyYIVQDJJYIYINDO-UHFFFAOYSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370545
1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-methyl-4-(4-methylsulfonylphenyl)sulfonylbenzene
CID 157337856
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
5-(4-methoxyphenyl)-3-methylsulfanyl-6-(4-methylsulfonylphenyl)-1,2,4-triazine
CID 73334567
1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 22661044
(4-methylsulfonylphenyl) 2-(4-methoxyphenyl)-2-oxoacetate
CID 58981556
1-methoxy-4-[[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]methyl]benzene
CID 174400263
3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
CID 139782244
6-(4-methoxyphenyl)-1-methyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-b]pyridine
CID 169287971
4-methoxybenzenesulfonyl iodide
CID 23080708

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene?
The IUPAC name of ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene (CID 178021932) is ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene.
What is the SMILES notation for ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene?
The canonical SMILES for ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene is CC.COc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene?
The InChIKey is YIVQDJJYIYINDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S.C2H6/c1-17-13-7-3-11(4-8-13)12-5-9-14(10-6-12)18(2,15)16;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene?
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene has a molecular weight of 292.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene is sourced from PubChem (CID 178021932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).