1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene

C15H16O2S — CID 166231145

IUPAC1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene
SMILESCc1ccccc1-c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C15H16O2S/c1-12-5-3-4-6-15(12)14-9-7-13(8-10-14)11-18(2,16)17/h3-10H,11H2,1-2H3
InChIKeyVITZBIIAIXCFCX-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.21
Rot. Bonds3

About 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene

1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene (PubChem CID 166231145) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene
PubChem CID166231145
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene
SMILESCc1ccccc1-c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C15H16O2S/c1-12-5-3-4-6-15(12)14-9-7-13(8-10-14)11-18(2,16)17/h3-10H,11H2,1-2H3
InChIKeyVITZBIIAIXCFCX-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene?
The IUPAC name of 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene (CID 166231145) is 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene.
What is the SMILES notation for 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene?
The canonical SMILES for 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene is Cc1ccccc1-c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene?
The InChIKey is VITZBIIAIXCFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-12-5-3-4-6-15(12)14-9-7-13(8-10-14)11-18(2,16)17/h3-10H,11H2,1-2H3.
What are the key properties of 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene?
1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene has a molecular weight of 260.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene is sourced from PubChem (CID 166231145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).