1,2-dihydroxyanthracene-9,10-dione

C14H8O4 — CID 6293

IUPAC1,2-dihydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc(O)c2O
InChIInChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
InChIKeyRGCKGOZRHPZPFP-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.87
Rot. Bonds

About 1,2-dihydroxyanthracene-9,10-dione

1,2-dihydroxyanthracene-9,10-dione (PubChem CID 6293) has the molecular formula C14H8O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1,2-dihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,2-dihydroxyanthracene-9,10-dione
PubChem CID6293
Molecular FormulaC14H8O4
Molecular Weight240.21 g/mol
Exact Mass240.04
IUPAC Name1,2-dihydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc(O)c2O
InChIInChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
InChIKeyRGCKGOZRHPZPFP-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'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxyanthracene-9,10-dione?
The IUPAC name of 1,2-dihydroxyanthracene-9,10-dione (CID 6293) is 1,2-dihydroxyanthracene-9,10-dione.
What is the SMILES notation for 1,2-dihydroxyanthracene-9,10-dione?
The canonical SMILES for 1,2-dihydroxyanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1ccc(O)c2O.
What is the InChIKey of 1,2-dihydroxyanthracene-9,10-dione?
The InChIKey is RGCKGOZRHPZPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H.
What are the key properties of 1,2-dihydroxyanthracene-9,10-dione?
1,2-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 1,2-dihydroxyanthracene-9,10-dione is sourced from PubChem (CID 6293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).