1,4-dihydroxynaphthalene-2,7-disulfonic acid

C10H8O8S2 — CID 151440916

IUPAC1,4-dihydroxynaphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(O)cc(S(=O)(=O)O)c(O)c2c1
InChIInChI=1S/C10H8O8S2/c11-8-4-9(20(16,17)18)10(12)7-3-5(19(13,14)15)1-2-6(7)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)
InChIKeyPEMPAPJKNNOXPU-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.74
Rot. Bonds2

About 1,4-dihydroxynaphthalene-2,7-disulfonic acid

1,4-dihydroxynaphthalene-2,7-disulfonic acid (PubChem CID 151440916) has the molecular formula C10H8O8S2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 1,4-dihydroxynaphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name1,4-dihydroxynaphthalene-2,7-disulfonic acid
PubChem CID151440916
Molecular FormulaC10H8O8S2
Molecular Weight320.30 g/mol
Exact Mass319.97
IUPAC Name1,4-dihydroxynaphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)c1ccc2c(O)cc(S(=O)(=O)O)c(O)c2c1
InChIInChI=1S/C10H8O8S2/c11-8-4-9(20(16,17)18)10(12)7-3-5(19(13,14)15)1-2-6(7)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)
InChIKeyPEMPAPJKNNOXPU-UHFFFAOYSA-N
XLogP0.74
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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
1-hydroxy-4,7-disulfonaphthalene-2-carboxylic acid
CID 5250962
CID 87126465
CID 87126465
4,9-dihydroxyanthracene-2-sulfonic acid
CID 141399647
CID 87275188
CID 87275188
CID 86743193
CID 86743193
4-amino-3-hydroxynaphthalene-2,7-disulfonic acid
CID 16177
3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid
CID 20736921
1-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid
CID 141037759
CID 87256464
CID 87256464
sodium;4,5-dihydroxybenzene-1,3-disulfonic acid;hydride
CID 172995228
4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136829722

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxynaphthalene-2,7-disulfonic acid?
The IUPAC name of 1,4-dihydroxynaphthalene-2,7-disulfonic acid (CID 151440916) is 1,4-dihydroxynaphthalene-2,7-disulfonic acid.
What is the SMILES notation for 1,4-dihydroxynaphthalene-2,7-disulfonic acid?
The canonical SMILES for 1,4-dihydroxynaphthalene-2,7-disulfonic acid is O=S(=O)(O)c1ccc2c(O)cc(S(=O)(=O)O)c(O)c2c1.
What is the InChIKey of 1,4-dihydroxynaphthalene-2,7-disulfonic acid?
The InChIKey is PEMPAPJKNNOXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O8S2/c11-8-4-9(20(16,17)18)10(12)7-3-5(19(13,14)15)1-2-6(7)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18).
What are the key properties of 1,4-dihydroxynaphthalene-2,7-disulfonic acid?
1,4-dihydroxynaphthalene-2,7-disulfonic acid has a molecular weight of 320.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxynaphthalene-2,7-disulfonic acid is sourced from PubChem (CID 151440916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).