2-hydroxy-6-methylbenzenesulfonic acid

C7H8O4S — CID 3016392

IUPAC2-hydroxy-6-methylbenzenesulfonic acid
SMILESCc1cccc(O)c1S(=O)(=O)O
InChIInChI=1S/C7H8O4S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKeyODLIHNXQTJXBDT-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.95
Rot. Bonds1

About 2-hydroxy-6-methylbenzenesulfonic acid

2-hydroxy-6-methylbenzenesulfonic acid (PubChem CID 3016392) has the molecular formula C7H8O4S and a molecular weight of 188.20 g/mol. Its IUPAC name is 2-hydroxy-6-methylbenzenesulfonic acid.

Molecular Properties

Compound Name2-hydroxy-6-methylbenzenesulfonic acid
PubChem CID3016392
Molecular FormulaC7H8O4S
Molecular Weight188.20 g/mol
Exact Mass188.01
IUPAC Name2-hydroxy-6-methylbenzenesulfonic acid
SMILESCc1cccc(O)c1S(=O)(=O)O
InChIInChI=1S/C7H8O4S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKeyODLIHNXQTJXBDT-UHFFFAOYSA-N
XLogP0.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

o-Phenolsulfonic acid
CID 11867
3-Methyl-4-(methylsulfonyl)phenol
CID 167048
4-Hydroxy-3-methylbenzenesulfonic acid
CID 407379
2-Hydroxy-3-methylbenzenesulfonic acid
CID 77632
2-Hydroxy-5-methylbenzenesulfonic acid
CID 407461
5-Methyl-2-sulfanylphenol
CID 12306960
3-Hydroxy-2-methylbenzenesulfonic acid
CID 6452778
4-Hydroxy-2-methylbenzenesulfonic acid
CID 81554
2-Hydroxy-4-methylbenzenesulfonic acid
CID 89674
3-Hydroxy-4-methylbenzenesulfonic acid
CID 12496992
2-Hydroxy-5-methylbenzene-1-sulfonyl chloride
CID 16772627
4-Hydroxy-2-methylbenzene-1-sulfonamide
CID 45080608

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methylbenzenesulfonic acid?
The IUPAC name of 2-hydroxy-6-methylbenzenesulfonic acid (CID 3016392) is 2-hydroxy-6-methylbenzenesulfonic acid.
What is the SMILES notation for 2-hydroxy-6-methylbenzenesulfonic acid?
The canonical SMILES for 2-hydroxy-6-methylbenzenesulfonic acid is Cc1cccc(O)c1S(=O)(=O)O.
What is the InChIKey of 2-hydroxy-6-methylbenzenesulfonic acid?
The InChIKey is ODLIHNXQTJXBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11).
What are the key properties of 2-hydroxy-6-methylbenzenesulfonic acid?
2-hydroxy-6-methylbenzenesulfonic acid has a molecular weight of 188.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methylbenzenesulfonic acid is sourced from PubChem (CID 3016392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).