6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid

C10H10O4S — CID 88604068

IUPAC6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)C1=CCC2=CC(O)C=CC2=C1
InChIInChI=1S/C10H10O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1,3-6,9,11H,2H2,(H,12,13,14)
InChIKeyOGQNHIGQIZGIRR-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.95
Rot. Bonds1

About 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid

6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid (PubChem CID 88604068) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid
PubChem CID88604068
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)C1=CCC2=CC(O)C=CC2=C1
InChIInChI=1S/C10H10O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1,3-6,9,11H,2H2,(H,12,13,14)
InChIKeyOGQNHIGQIZGIRR-UHFFFAOYSA-N
XLogP0.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid?
The IUPAC name of 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid (CID 88604068) is 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid.
What is the SMILES notation for 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid?
The canonical SMILES for 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid is O=S(=O)(O)C1=CCC2=CC(O)C=CC2=C1.
What is the InChIKey of 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid?
The InChIKey is OGQNHIGQIZGIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1,3-6,9,11H,2H2,(H,12,13,14).
What are the key properties of 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid?
6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid has a molecular weight of 226.25 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 6-hydroxy-4,6-dihydronaphthalene-2-sulfonic acid is sourced from PubChem (CID 88604068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).