8-formyl-4-hydroxynaphthalene-2-sulfonic acid

C11H8O5S — CID 163232979

IUPAC8-formyl-4-hydroxynaphthalene-2-sulfonic acid
SMILESO=Cc1cccc2c(O)cc(S(=O)(=O)O)cc12
InChIInChI=1S/C11H8O5S/c12-6-7-2-1-3-9-10(7)4-8(5-11(9)13)17(14,15)16/h1-6,13H,(H,14,15,16)
InChIKeyVHOITXCHDZLCBV-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.60
Rot. Bonds2

About 8-formyl-4-hydroxynaphthalene-2-sulfonic acid

8-formyl-4-hydroxynaphthalene-2-sulfonic acid (PubChem CID 163232979) has the molecular formula C11H8O5S and a molecular weight of 252.25 g/mol. Its IUPAC name is 8-formyl-4-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name8-formyl-4-hydroxynaphthalene-2-sulfonic acid
PubChem CID163232979
Molecular FormulaC11H8O5S
Molecular Weight252.25 g/mol
Exact Mass252.01
IUPAC Name8-formyl-4-hydroxynaphthalene-2-sulfonic acid
SMILESO=Cc1cccc2c(O)cc(S(=O)(=O)O)cc12
InChIInChI=1S/C11H8O5S/c12-6-7-2-1-3-9-10(7)4-8(5-11(9)13)17(14,15)16/h1-6,13H,(H,14,15,16)
InChIKeyVHOITXCHDZLCBV-UHFFFAOYSA-N
XLogP1.60
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxynaphthalene-1,7-disulfonic acid
CID 21259642
CID 87885081
CID 87885081
4-hydroxy-8-(4-sulfoanilino)naphthalene-2-sulfonic acid
CID 139603980
8-[carbamoyl-(5-hydroxy-7-sulfonaphthalen-1-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 139768544
5-hydroxynaphthalene-1,3-disulfonic acid
CID 19366258
4,9-dihydroxyanthracene-2-sulfonic acid
CID 141399647
8-[(2-chloroacetyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 154373484
CID 87126465
CID 87126465
1,4-dihydroxynaphthalene-2,7-disulfonic acid
CID 151440916
3,4,5-trihydroxybenzenesulfonic acid
CID 15787789
3-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]benzoic acid
CID 15450962
2,3-dihydroxybenzaldehyde
CID 159243971

Frequently Asked Questions

What is the IUPAC name of 8-formyl-4-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 8-formyl-4-hydroxynaphthalene-2-sulfonic acid (CID 163232979) is 8-formyl-4-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 8-formyl-4-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 8-formyl-4-hydroxynaphthalene-2-sulfonic acid is O=Cc1cccc2c(O)cc(S(=O)(=O)O)cc12.
What is the InChIKey of 8-formyl-4-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is VHOITXCHDZLCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5S/c12-6-7-2-1-3-9-10(7)4-8(5-11(9)13)17(14,15)16/h1-6,13H,(H,14,15,16).
What are the key properties of 8-formyl-4-hydroxynaphthalene-2-sulfonic acid?
8-formyl-4-hydroxynaphthalene-2-sulfonic acid has a molecular weight of 252.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-formyl-4-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 163232979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).