4-hydroxy-2-methoxybenzenesulfonic acid

C7H8O5S — CID 14197007

IUPAC4-hydroxy-2-methoxybenzenesulfonic acid
SMILESCOc1cc(O)ccc1S(=O)(=O)O
InChIInChI=1S/C7H8O5S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKeyIGXQMXGYAZLAGA-UHFFFAOYSA-N
MW204.20 g/mol
LogP0.65
Rot. Bonds2

About 4-hydroxy-2-methoxybenzenesulfonic acid

4-hydroxy-2-methoxybenzenesulfonic acid (PubChem CID 14197007) has the molecular formula C7H8O5S and a molecular weight of 204.20 g/mol. Its IUPAC name is 4-hydroxy-2-methoxybenzenesulfonic acid.

Molecular Properties

Compound Name4-hydroxy-2-methoxybenzenesulfonic acid
PubChem CID14197007
Molecular FormulaC7H8O5S
Molecular Weight204.20 g/mol
Exact Mass204.01
IUPAC Name4-hydroxy-2-methoxybenzenesulfonic acid
SMILESCOc1cc(O)ccc1S(=O)(=O)O
InChIInChI=1S/C7H8O5S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKeyIGXQMXGYAZLAGA-UHFFFAOYSA-N
XLogP0.65
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methoxybenzenesulfonic acid?
The IUPAC name of 4-hydroxy-2-methoxybenzenesulfonic acid (CID 14197007) is 4-hydroxy-2-methoxybenzenesulfonic acid.
What is the SMILES notation for 4-hydroxy-2-methoxybenzenesulfonic acid?
The canonical SMILES for 4-hydroxy-2-methoxybenzenesulfonic acid is COc1cc(O)ccc1S(=O)(=O)O.
What is the InChIKey of 4-hydroxy-2-methoxybenzenesulfonic acid?
The InChIKey is IGXQMXGYAZLAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4,8H,1H3,(H,9,10,11).
What are the key properties of 4-hydroxy-2-methoxybenzenesulfonic acid?
4-hydroxy-2-methoxybenzenesulfonic acid has a molecular weight of 204.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methoxybenzenesulfonic acid is sourced from PubChem (CID 14197007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).