2-methoxy-6-(2-methylsulfonylethyl)naphthalene

C14H16O3S — CID 155548487

IUPAC2-methoxy-6-(2-methylsulfonylethyl)naphthalene
SMILESCOc1ccc2cc(CCS(C)(=O)=O)ccc2c1
InChIInChI=1S/C14H16O3S/c1-17-14-6-5-12-9-11(3-4-13(12)10-14)7-8-18(2,15)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVFHNOGASOLDMOU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.44
Rot. Bonds4

About 2-methoxy-6-(2-methylsulfonylethyl)naphthalene

2-methoxy-6-(2-methylsulfonylethyl)naphthalene (PubChem CID 155548487) has the molecular formula C14H16O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methoxy-6-(2-methylsulfonylethyl)naphthalene.

Molecular Properties

Compound Name2-methoxy-6-(2-methylsulfonylethyl)naphthalene
PubChem CID155548487
Molecular FormulaC14H16O3S
Molecular Weight264.35 g/mol
Exact Mass264.08
IUPAC Name2-methoxy-6-(2-methylsulfonylethyl)naphthalene
SMILESCOc1ccc2cc(CCS(C)(=O)=O)ccc2c1
InChIInChI=1S/C14H16O3S/c1-17-14-6-5-12-9-11(3-4-13(12)10-14)7-8-18(2,15)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVFHNOGASOLDMOU-UHFFFAOYSA-N
XLogP2.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-methylsulfonylethyl)naphthalene?
The IUPAC name of 2-methoxy-6-(2-methylsulfonylethyl)naphthalene (CID 155548487) is 2-methoxy-6-(2-methylsulfonylethyl)naphthalene.
What is the SMILES notation for 2-methoxy-6-(2-methylsulfonylethyl)naphthalene?
The canonical SMILES for 2-methoxy-6-(2-methylsulfonylethyl)naphthalene is COc1ccc2cc(CCS(C)(=O)=O)ccc2c1.
What is the InChIKey of 2-methoxy-6-(2-methylsulfonylethyl)naphthalene?
The InChIKey is VFHNOGASOLDMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3S/c1-17-14-6-5-12-9-11(3-4-13(12)10-14)7-8-18(2,15)16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-methoxy-6-(2-methylsulfonylethyl)naphthalene?
2-methoxy-6-(2-methylsulfonylethyl)naphthalene has a molecular weight of 264.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-methylsulfonylethyl)naphthalene is sourced from PubChem (CID 155548487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).