2-methoxy-6-methylsulfonylnaphthalene

C12H12O3S — CID 15434622

IUPAC2-methoxy-6-methylsulfonylnaphthalene
SMILESCOc1ccc2cc(S(C)(=O)=O)ccc2c1
InChIInChI=1S/C12H12O3S/c1-15-11-5-3-10-8-12(16(2,13)14)6-4-9(10)7-11/h3-8H,1-2H3
InChIKeyWPJQZSOSBHCSBT-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.25
Rot. Bonds2

About 2-methoxy-6-methylsulfonylnaphthalene

2-methoxy-6-methylsulfonylnaphthalene (PubChem CID 15434622) has the molecular formula C12H12O3S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-methoxy-6-methylsulfonylnaphthalene.

Molecular Properties

Compound Name2-methoxy-6-methylsulfonylnaphthalene
PubChem CID15434622
Molecular FormulaC12H12O3S
Molecular Weight236.29 g/mol
Exact Mass236.05
IUPAC Name2-methoxy-6-methylsulfonylnaphthalene
SMILESCOc1ccc2cc(S(C)(=O)=O)ccc2c1
InChIInChI=1S/C12H12O3S/c1-15-11-5-3-10-8-12(16(2,13)14)6-4-9(10)7-11/h3-8H,1-2H3
InChIKeyWPJQZSOSBHCSBT-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methylsulfonylnaphthalene?
The IUPAC name of 2-methoxy-6-methylsulfonylnaphthalene (CID 15434622) is 2-methoxy-6-methylsulfonylnaphthalene.
What is the SMILES notation for 2-methoxy-6-methylsulfonylnaphthalene?
The canonical SMILES for 2-methoxy-6-methylsulfonylnaphthalene is COc1ccc2cc(S(C)(=O)=O)ccc2c1.
What is the InChIKey of 2-methoxy-6-methylsulfonylnaphthalene?
The InChIKey is WPJQZSOSBHCSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3S/c1-15-11-5-3-10-8-12(16(2,13)14)6-4-9(10)7-11/h3-8H,1-2H3.
What are the key properties of 2-methoxy-6-methylsulfonylnaphthalene?
2-methoxy-6-methylsulfonylnaphthalene has a molecular weight of 236.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methylsulfonylnaphthalene is sourced from PubChem (CID 15434622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).