2,5-dihydroxanthene-3,6,9-trione

C13H8O4 — CID 18509947

IUPAC2,5-dihydroxanthene-3,6,9-trione
SMILESO=C1C=c2oc3c(c(=O)c2=CC1)C=CC(=O)C3
InChIInChI=1S/C13H8O4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1,3-4,6H,2,5H2
InChIKeyZFYPIIIBSZLKSA-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.69
Rot. Bonds

About 2,5-dihydroxanthene-3,6,9-trione

2,5-dihydroxanthene-3,6,9-trione (PubChem CID 18509947) has the molecular formula C13H8O4 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2,5-dihydroxanthene-3,6,9-trione.

Molecular Properties

Compound Name2,5-dihydroxanthene-3,6,9-trione
PubChem CID18509947
Molecular FormulaC13H8O4
Molecular Weight228.20 g/mol
Exact Mass228.04
IUPAC Name2,5-dihydroxanthene-3,6,9-trione
SMILESO=C1C=c2oc3c(c(=O)c2=CC1)C=CC(=O)C3
InChIInChI=1S/C13H8O4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1,3-4,6H,2,5H2
InChIKeyZFYPIIIBSZLKSA-UHFFFAOYSA-N
XLogP-0.69
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxanthene-3,6,9-trione?
The IUPAC name of 2,5-dihydroxanthene-3,6,9-trione (CID 18509947) is 2,5-dihydroxanthene-3,6,9-trione.
What is the SMILES notation for 2,5-dihydroxanthene-3,6,9-trione?
The canonical SMILES for 2,5-dihydroxanthene-3,6,9-trione is O=C1C=c2oc3c(c(=O)c2=CC1)C=CC(=O)C3.
What is the InChIKey of 2,5-dihydroxanthene-3,6,9-trione?
The InChIKey is ZFYPIIIBSZLKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1,3-4,6H,2,5H2.
What are the key properties of 2,5-dihydroxanthene-3,6,9-trione?
2,5-dihydroxanthene-3,6,9-trione has a molecular weight of 228.20 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxanthene-3,6,9-trione is sourced from PubChem (CID 18509947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).