5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid

C16H8O8 — CID 70007618

IUPAC5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O
InChIInChI=1S/C16H8O8/c17-7-3-4-8(18)12-11(7)13(19)9-5(15(21)22)1-2-6(16(23)24)10(9)14(12)20/h1-4,17-18H,(H,21,22)(H,23,24)
InChIKeyWMKLPMQYPDLVCG-UHFFFAOYSA-N
MW328.23 g/mol
LogP1.27
Rot. Bonds2

About 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid

5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid (PubChem CID 70007618) has the molecular formula C16H8O8 and a molecular weight of 328.23 g/mol. Its IUPAC name is 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid
PubChem CID70007618
Molecular FormulaC16H8O8
Molecular Weight328.23 g/mol
Exact Mass328.02
IUPAC Name5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O
InChIInChI=1S/C16H8O8/c17-7-3-4-8(18)12-11(7)13(19)9-5(15(21)22)1-2-6(16(23)24)10(9)14(12)20/h1-4,17-18H,(H,21,22)(H,23,24)
InChIKeyWMKLPMQYPDLVCG-UHFFFAOYSA-N
XLogP1.27
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid?
The IUPAC name of 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid (CID 70007618) is 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid.
What is the SMILES notation for 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid?
The canonical SMILES for 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid is O=C(O)c1ccc(C(=O)O)c2c1C(=O)c1c(O)ccc(O)c1C2=O.
What is the InChIKey of 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid?
The InChIKey is WMKLPMQYPDLVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O8/c17-7-3-4-8(18)12-11(7)13(19)9-5(15(21)22)1-2-6(16(23)24)10(9)14(12)20/h1-4,17-18H,(H,21,22)(H,23,24).
What are the key properties of 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid?
5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid has a molecular weight of 328.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxy-9,10-dioxoanthracene-1,4-dicarboxylic acid is sourced from PubChem (CID 70007618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).