1,3-dihydroxyanthracene-2-sulfonic acid

C14H10O5S — CID 91522972

IUPAC1,3-dihydroxyanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1c(O)cc2cc3ccccc3cc2c1O
InChIInChI=1S/C14H10O5S/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(16)14(12)20(17,18)19/h1-7,15-16H,(H,17,18,19)
InChIKeyVOHZPQPAQXBFSF-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.65
Rot. Bonds1

About 1,3-dihydroxyanthracene-2-sulfonic acid

1,3-dihydroxyanthracene-2-sulfonic acid (PubChem CID 91522972) has the molecular formula C14H10O5S and a molecular weight of 290.30 g/mol. Its IUPAC name is 1,3-dihydroxyanthracene-2-sulfonic acid.

Molecular Properties

Compound Name1,3-dihydroxyanthracene-2-sulfonic acid
PubChem CID91522972
Molecular FormulaC14H10O5S
Molecular Weight290.30 g/mol
Exact Mass290.02
IUPAC Name1,3-dihydroxyanthracene-2-sulfonic acid
SMILESO=S(=O)(O)c1c(O)cc2cc3ccccc3cc2c1O
InChIInChI=1S/C14H10O5S/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(16)14(12)20(17,18)19/h1-7,15-16H,(H,17,18,19)
InChIKeyVOHZPQPAQXBFSF-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

CID 87256464
CID 87256464
1,3-dihydroxynaphthalene-2,6-disulfonic acid
CID 6365319
1,8-dihydroxyanthracene-2,3-disulfonic acid
CID 54046550
CID 173016081
CID 173016081
2-fluoroanthracene-1-sulfonic acid
CID 23054293
anthracene-1-sulfonic acid;hydrofluoride
CID 174515955
CID 89262500
CID 89262500
8-amino-3-hydroxynaphthalene-1,2-disulfonic acid
CID 174828574
3,6-dihydroxybenzene-1,2-disulfonic acid
CID 14848534
4,9-dihydroxyanthracene-2-sulfonic acid
CID 141399647
1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
CID 142779227
CID 159682573
CID 159682573

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxyanthracene-2-sulfonic acid?
The IUPAC name of 1,3-dihydroxyanthracene-2-sulfonic acid (CID 91522972) is 1,3-dihydroxyanthracene-2-sulfonic acid.
What is the SMILES notation for 1,3-dihydroxyanthracene-2-sulfonic acid?
The canonical SMILES for 1,3-dihydroxyanthracene-2-sulfonic acid is O=S(=O)(O)c1c(O)cc2cc3ccccc3cc2c1O.
What is the InChIKey of 1,3-dihydroxyanthracene-2-sulfonic acid?
The InChIKey is VOHZPQPAQXBFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5S/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(16)14(12)20(17,18)19/h1-7,15-16H,(H,17,18,19).
What are the key properties of 1,3-dihydroxyanthracene-2-sulfonic acid?
1,3-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 1,3-dihydroxyanthracene-2-sulfonic acid is sourced from PubChem (CID 91522972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).