2-methylsulfonylnaphthalene-1,4-diol

C11H10O4S — CID 44562639

IUPAC2-methylsulfonylnaphthalene-1,4-diol
SMILESCS(=O)(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H10O4S/c1-16(14,15)10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6,12-13H,1H3
InChIKeyLDKPKJBNGZYJSR-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.65
Rot. Bonds1

About 2-methylsulfonylnaphthalene-1,4-diol

2-methylsulfonylnaphthalene-1,4-diol (PubChem CID 44562639) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-methylsulfonylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-methylsulfonylnaphthalene-1,4-diol
PubChem CID44562639
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name2-methylsulfonylnaphthalene-1,4-diol
SMILESCS(=O)(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H10O4S/c1-16(14,15)10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6,12-13H,1H3
InChIKeyLDKPKJBNGZYJSR-UHFFFAOYSA-N
XLogP1.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylnaphthalene-1,4-diol?
The IUPAC name of 2-methylsulfonylnaphthalene-1,4-diol (CID 44562639) is 2-methylsulfonylnaphthalene-1,4-diol.
What is the SMILES notation for 2-methylsulfonylnaphthalene-1,4-diol?
The canonical SMILES for 2-methylsulfonylnaphthalene-1,4-diol is CS(=O)(=O)c1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-methylsulfonylnaphthalene-1,4-diol?
The InChIKey is LDKPKJBNGZYJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-16(14,15)10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6,12-13H,1H3.
What are the key properties of 2-methylsulfonylnaphthalene-1,4-diol?
2-methylsulfonylnaphthalene-1,4-diol has a molecular weight of 238.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylnaphthalene-1,4-diol is sourced from PubChem (CID 44562639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).