2,8-dihydroxanthene-1,7,9-trione

C13H8O4 — CID 87571612

IUPAC2,8-dihydroxanthene-1,7,9-trione
SMILESO=C1C=Cc2oc3c(c(=O)c2C1)C(=O)CC=C3
InChIInChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1,3-5H,2,6H2
InChIKeyJABOLFPTWAFPLO-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.38
Rot. Bonds

About 2,8-dihydroxanthene-1,7,9-trione

2,8-dihydroxanthene-1,7,9-trione (PubChem CID 87571612) has the molecular formula C13H8O4 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2,8-dihydroxanthene-1,7,9-trione.

Molecular Properties

Compound Name2,8-dihydroxanthene-1,7,9-trione
PubChem CID87571612
Molecular FormulaC13H8O4
Molecular Weight228.20 g/mol
Exact Mass228.04
IUPAC Name2,8-dihydroxanthene-1,7,9-trione
SMILESO=C1C=Cc2oc3c(c(=O)c2C1)C(=O)CC=C3
InChIInChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1,3-5H,2,6H2
InChIKeyJABOLFPTWAFPLO-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8-dihydroxanthene-1,7,9-trione?
The IUPAC name of 2,8-dihydroxanthene-1,7,9-trione (CID 87571612) is 2,8-dihydroxanthene-1,7,9-trione.
What is the SMILES notation for 2,8-dihydroxanthene-1,7,9-trione?
The canonical SMILES for 2,8-dihydroxanthene-1,7,9-trione is O=C1C=Cc2oc3c(c(=O)c2C1)C(=O)CC=C3.
What is the InChIKey of 2,8-dihydroxanthene-1,7,9-trione?
The InChIKey is JABOLFPTWAFPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1,3-5H,2,6H2.
What are the key properties of 2,8-dihydroxanthene-1,7,9-trione?
2,8-dihydroxanthene-1,7,9-trione has a molecular weight of 228.20 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dihydroxanthene-1,7,9-trione is sourced from PubChem (CID 87571612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).