1,8-dihydroxyanthracene-9,10-dione

C14H8O4 — CID 2950

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IUPAC1,8-dihydroxyanthracene-9,10-dione
SMILESO=C1c2cccc(O)c2C(=O)c2c(O)cccc21
InChIInChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
InChIKeyQBPFLULOKWLNNW-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.87
Rot. Bonds

About 1,8-dihydroxyanthracene-9,10-dione

1,8-dihydroxyanthracene-9,10-dione (PubChem CID 2950) has the molecular formula C14H8O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1,8-dihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,8-dihydroxyanthracene-9,10-dione
PubChem CID2950
Molecular FormulaC14H8O4
Molecular Weight240.21 g/mol
Exact Mass240.04
IUPAC Name1,8-dihydroxyanthracene-9,10-dione
SMILESO=C1c2cccc(O)c2C(=O)c2c(O)cccc21
InChIInChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
InChIKeyQBPFLULOKWLNNW-UHFFFAOYSA-N
XLogP1.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Chrysophanol
CID 10208
Emodin
CID 3220
Alizarin
CID 6293
Rhein
CID 10168
Plumbagin
CID 10205
Shikonin
CID 479503
Anthralin
CID 2202
Juglone
CID 3806
Purpurin anthraquinone
CID 6683
Quinizarin
CID 6688
Aloe emodin
CID 10207
Naphthazarin
CID 10141

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxyanthracene-9,10-dione?
The IUPAC name of 1,8-dihydroxyanthracene-9,10-dione (CID 2950) is 1,8-dihydroxyanthracene-9,10-dione.
What is the SMILES notation for 1,8-dihydroxyanthracene-9,10-dione?
The canonical SMILES for 1,8-dihydroxyanthracene-9,10-dione is O=C1c2cccc(O)c2C(=O)c2c(O)cccc21.
What is the InChIKey of 1,8-dihydroxyanthracene-9,10-dione?
The InChIKey is QBPFLULOKWLNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H.
What are the key properties of 1,8-dihydroxyanthracene-9,10-dione?
1,8-dihydroxyanthracene-9,10-dione has a molecular weight of 240.21 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxyanthracene-9,10-dione is sourced from PubChem (CID 2950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).