2-ethyl-6-methylsulfonylnaphthalene

C13H14O2S — CID 67478428

IUPAC2-ethyl-6-methylsulfonylnaphthalene
SMILESCCc1ccc2cc(S(C)(=O)=O)ccc2c1
InChIInChI=1S/C13H14O2S/c1-3-10-4-5-12-9-13(16(2,14)15)7-6-11(12)8-10/h4-9H,3H2,1-2H3
InChIKeyZHOBHEQCTOYXOW-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.81
Rot. Bonds2

About 2-ethyl-6-methylsulfonylnaphthalene

2-ethyl-6-methylsulfonylnaphthalene (PubChem CID 67478428) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-ethyl-6-methylsulfonylnaphthalene.

Molecular Properties

Compound Name2-ethyl-6-methylsulfonylnaphthalene
PubChem CID67478428
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name2-ethyl-6-methylsulfonylnaphthalene
SMILESCCc1ccc2cc(S(C)(=O)=O)ccc2c1
InChIInChI=1S/C13H14O2S/c1-3-10-4-5-12-9-13(16(2,14)15)7-6-11(12)8-10/h4-9H,3H2,1-2H3
InChIKeyZHOBHEQCTOYXOW-UHFFFAOYSA-N
XLogP2.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylsulfonylnaphthalene?
The IUPAC name of 2-ethyl-6-methylsulfonylnaphthalene (CID 67478428) is 2-ethyl-6-methylsulfonylnaphthalene.
What is the SMILES notation for 2-ethyl-6-methylsulfonylnaphthalene?
The canonical SMILES for 2-ethyl-6-methylsulfonylnaphthalene is CCc1ccc2cc(S(C)(=O)=O)ccc2c1.
What is the InChIKey of 2-ethyl-6-methylsulfonylnaphthalene?
The InChIKey is ZHOBHEQCTOYXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-3-10-4-5-12-9-13(16(2,14)15)7-6-11(12)8-10/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methylsulfonylnaphthalene?
2-ethyl-6-methylsulfonylnaphthalene has a molecular weight of 234.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylsulfonylnaphthalene is sourced from PubChem (CID 67478428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).