2-methylsulfonylnaphthalen-1-ol

C11H10O3S — CID 22125714

IUPAC2-methylsulfonylnaphthalen-1-ol
SMILESCS(=O)(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C11H10O3S/c1-15(13,14)10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7,12H,1H3
InChIKeyMIJHAWWEXQOPRJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.95
Rot. Bonds1

About 2-methylsulfonylnaphthalen-1-ol

2-methylsulfonylnaphthalen-1-ol (PubChem CID 22125714) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-methylsulfonylnaphthalen-1-ol.

Molecular Properties

Compound Name2-methylsulfonylnaphthalen-1-ol
PubChem CID22125714
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name2-methylsulfonylnaphthalen-1-ol
SMILESCS(=O)(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C11H10O3S/c1-15(13,14)10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7,12H,1H3
InChIKeyMIJHAWWEXQOPRJ-UHFFFAOYSA-N
XLogP1.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonylnaphthalene
CID 11206535
phenyl 1-hydroxynaphthalene-2-sulfonate
CID 56636181
1-methylnaphthalene-2-sulfonamide
CID 57353049
1-methylnaphthalene-2-sulfonic acid;2-methylpropane
CID 143894377
methanesulfonic acid;phenanthren-1-ol
CID 175029052
potassium 1-methylnaphthalene-2-sulfonate
CID 101317089
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
1-bicyclo[2.2.2]octanyl 1-hydroxynaphthalene-2-sulfonate
CID 87296410
N-benzylbutan-1-amine;1-hydroxynaphthalene-2-sulfonic acid
CID 173369514
1-trimethylsilylnaphthalene-2-sulfonic acid
CID 158918088
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
2-aminonaphthalen-1-ol;ethane
CID 143085377

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylnaphthalen-1-ol?
The IUPAC name of 2-methylsulfonylnaphthalen-1-ol (CID 22125714) is 2-methylsulfonylnaphthalen-1-ol.
What is the SMILES notation for 2-methylsulfonylnaphthalen-1-ol?
The canonical SMILES for 2-methylsulfonylnaphthalen-1-ol is CS(=O)(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 2-methylsulfonylnaphthalen-1-ol?
The InChIKey is MIJHAWWEXQOPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-15(13,14)10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7,12H,1H3.
What are the key properties of 2-methylsulfonylnaphthalen-1-ol?
2-methylsulfonylnaphthalen-1-ol has a molecular weight of 222.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylnaphthalen-1-ol is sourced from PubChem (CID 22125714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).