Quinizarin

C14H8O4 — CID 6688

IUPAC1,4-dihydroxyanthracene-9,10-dione
SMILESC1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChIInChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChIKeyGUEIZVNYDFNHJU-UHFFFAOYSA-N
MW240.21 g/mol
LogP3.70
Rot. Bonds

About Quinizarin

Quinizarin (PubChem CID 6688) has the molecular formula C14H8O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1,4-dihydroxyanthracene-9,10-dione.

Molecular Properties

Compound NameQuinizarin
PubChem CID6688
Molecular FormulaC14H8O4
Molecular Weight240.21 g/mol
Exact Mass240.04
IUPAC Name1,4-dihydroxyanthracene-9,10-dione
SMILESC1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChIInChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChIKeyGUEIZVNYDFNHJU-UHFFFAOYSA-N
XLogP3.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity342

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Chrysophanol
CID 10208
Emodin
CID 3220
Alizarin
CID 6293
Rhein
CID 10168
1,8-Dihydroxyanthraquinone
CID 2950
Plumbagin
CID 10205
Shikonin
CID 479503
Anthralin
CID 2202
Juglone
CID 3806
Purpurin anthraquinone
CID 6683
Aloe emodin
CID 10207
Naphthazarin
CID 10141

Frequently Asked Questions

What is the IUPAC name of Quinizarin?
The IUPAC name of Quinizarin (CID 6688) is 1,4-dihydroxyanthracene-9,10-dione.
What is the SMILES notation for Quinizarin?
The canonical SMILES for Quinizarin is C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O.
What is the InChIKey of Quinizarin?
The InChIKey is GUEIZVNYDFNHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H.
What are the key properties of Quinizarin?
Quinizarin has a molecular weight of 240.21 g/mol, XLogP of 3.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Quinizarin is sourced from PubChem (CID 6688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).