2-hydroxy-4-methoxybenzenesulfonic acid

C7H8O5S — CID 14197008

IUPAC2-hydroxy-4-methoxybenzenesulfonic acid
SMILESCOc1ccc(S(=O)(=O)O)c(O)c1
InChIInChI=1S/C7H8O5S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKeyUXVVJRLVVDTDSB-UHFFFAOYSA-N
MW204.20 g/mol
LogP0.65
Rot. Bonds2

About 2-hydroxy-4-methoxybenzenesulfonic acid

2-hydroxy-4-methoxybenzenesulfonic acid (PubChem CID 14197008) has the molecular formula C7H8O5S and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-hydroxy-4-methoxybenzenesulfonic acid.

Molecular Properties

Compound Name2-hydroxy-4-methoxybenzenesulfonic acid
PubChem CID14197008
Molecular FormulaC7H8O5S
Molecular Weight204.20 g/mol
Exact Mass204.01
IUPAC Name2-hydroxy-4-methoxybenzenesulfonic acid
SMILESCOc1ccc(S(=O)(=O)O)c(O)c1
InChIInChI=1S/C7H8O5S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKeyUXVVJRLVVDTDSB-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 2-hydroxy-4-methoxybenzenesulfonic acid?
The IUPAC name of 2-hydroxy-4-methoxybenzenesulfonic acid (CID 14197008) is 2-hydroxy-4-methoxybenzenesulfonic acid.
What is the SMILES notation for 2-hydroxy-4-methoxybenzenesulfonic acid?
The canonical SMILES for 2-hydroxy-4-methoxybenzenesulfonic acid is COc1ccc(S(=O)(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxybenzenesulfonic acid?
The InChIKey is UXVVJRLVVDTDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4,8H,1H3,(H,9,10,11).
What are the key properties of 2-hydroxy-4-methoxybenzenesulfonic acid?
2-hydroxy-4-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 2-hydroxy-4-methoxybenzenesulfonic acid is sourced from PubChem (CID 14197008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).