2-methyl-3-methylsulfonylnaphthalene

C12H12O2S — CID 20773148

IUPAC2-methyl-3-methylsulfonylnaphthalene
SMILESCc1cc2ccccc2cc1S(C)(=O)=O
InChIInChI=1S/C12H12O2S/c1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14/h3-8H,1-2H3
InChIKeyFBEVJGYGYHUEQO-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.55
Rot. Bonds1

About 2-methyl-3-methylsulfonylnaphthalene

2-methyl-3-methylsulfonylnaphthalene (PubChem CID 20773148) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonylnaphthalene.

Molecular Properties

Compound Name2-methyl-3-methylsulfonylnaphthalene
PubChem CID20773148
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name2-methyl-3-methylsulfonylnaphthalene
SMILESCc1cc2ccccc2cc1S(C)(=O)=O
InChIInChI=1S/C12H12O2S/c1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14/h3-8H,1-2H3
InChIKeyFBEVJGYGYHUEQO-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonylnaphthalene?
The IUPAC name of 2-methyl-3-methylsulfonylnaphthalene (CID 20773148) is 2-methyl-3-methylsulfonylnaphthalene.
What is the SMILES notation for 2-methyl-3-methylsulfonylnaphthalene?
The canonical SMILES for 2-methyl-3-methylsulfonylnaphthalene is Cc1cc2ccccc2cc1S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-methylsulfonylnaphthalene?
The InChIKey is FBEVJGYGYHUEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14/h3-8H,1-2H3.
What are the key properties of 2-methyl-3-methylsulfonylnaphthalene?
2-methyl-3-methylsulfonylnaphthalene has a molecular weight of 220.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonylnaphthalene is sourced from PubChem (CID 20773148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).