4,9-dihydroxyanthracene-2-sulfonic acid

C14H10O5S — CID 141399647

IUPAC4,9-dihydroxyanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cc3ccccc3c(O)c2c1
InChIInChI=1S/C14H10O5S/c15-13-7-9(20(17,18)19)6-12-11(13)5-8-3-1-2-4-10(8)14(12)16/h1-7,15-16H,(H,17,18,19)
InChIKeyWHGIFOUKXOITDX-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.65
Rot. Bonds1

About 4,9-dihydroxyanthracene-2-sulfonic acid

4,9-dihydroxyanthracene-2-sulfonic acid (PubChem CID 141399647) has the molecular formula C14H10O5S and a molecular weight of 290.30 g/mol. Its IUPAC name is 4,9-dihydroxyanthracene-2-sulfonic acid.

Molecular Properties

Compound Name4,9-dihydroxyanthracene-2-sulfonic acid
PubChem CID141399647
Molecular FormulaC14H10O5S
Molecular Weight290.30 g/mol
Exact Mass290.02
IUPAC Name4,9-dihydroxyanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cc3ccccc3c(O)c2c1
InChIInChI=1S/C14H10O5S/c15-13-7-9(20(17,18)19)6-12-11(13)5-8-3-1-2-4-10(8)14(12)16/h1-7,15-16H,(H,17,18,19)
InChIKeyWHGIFOUKXOITDX-UHFFFAOYSA-N
XLogP2.65
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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
5-hydroxynaphthalene-1,3-disulfonic acid
CID 19366258
1,4-dihydroxynaphthalene-2,7-disulfonic acid
CID 151440916
CID 87126465
CID 87126465
4-methylnaphthalene-2-sulfonic acid
CID 15706019
4-fluoronaphthalene-2-sulfonic acid
CID 56841923
sodium 3-sulfonaphthalen-1-olate
CID 101310118
8-formyl-4-hydroxynaphthalene-2-sulfonic acid
CID 163232979
3,4,5-trihydroxybenzenesulfonic acid
CID 15787789
anthracene-1,2,10-triol
CID 11342
CID 87256464
CID 87256464
naphthalene-2-sulfonic acid
CID 8420

Frequently Asked Questions

What is the IUPAC name of 4,9-dihydroxyanthracene-2-sulfonic acid?
The IUPAC name of 4,9-dihydroxyanthracene-2-sulfonic acid (CID 141399647) is 4,9-dihydroxyanthracene-2-sulfonic acid.
What is the SMILES notation for 4,9-dihydroxyanthracene-2-sulfonic acid?
The canonical SMILES for 4,9-dihydroxyanthracene-2-sulfonic acid is O=S(=O)(O)c1cc(O)c2cc3ccccc3c(O)c2c1.
What is the InChIKey of 4,9-dihydroxyanthracene-2-sulfonic acid?
The InChIKey is WHGIFOUKXOITDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5S/c15-13-7-9(20(17,18)19)6-12-11(13)5-8-3-1-2-4-10(8)14(12)16/h1-7,15-16H,(H,17,18,19).
What are the key properties of 4,9-dihydroxyanthracene-2-sulfonic acid?
4,9-dihydroxyanthracene-2-sulfonic acid has a molecular weight of 290.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydroxyanthracene-2-sulfonic acid is sourced from PubChem (CID 141399647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).