2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione

C14H6Br2O6 — CID 22643757

IUPAC2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione
SMILESO=C1c2cc(O)c(Br)c(O)c2C(=O)c2cc(O)c(Br)c(O)c21
InChIInChI=1S/C14H6Br2O6/c15-9-5(17)1-3-7(13(9)21)12(20)4-2-6(18)10(16)14(22)8(4)11(3)19/h1-2,17-18,21-22H
InChIKeyMEMOZDPTKFJGMA-UHFFFAOYSA-N
MW430.00 g/mol
LogP2.81
Rot. Bonds

About 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione

2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione (PubChem CID 22643757) has the molecular formula C14H6Br2O6 and a molecular weight of 430.00 g/mol. Its IUPAC name is 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione
PubChem CID22643757
Molecular FormulaC14H6Br2O6
Molecular Weight430.00 g/mol
Exact Mass427.85
IUPAC Name2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione
SMILESO=C1c2cc(O)c(Br)c(O)c2C(=O)c2cc(O)c(Br)c(O)c21
InChIInChI=1S/C14H6Br2O6/c15-9-5(17)1-3-7(13(9)21)12(20)4-2-6(18)10(16)14(22)8(4)11(3)19/h1-2,17-18,21-22H
InChIKeyMEMOZDPTKFJGMA-UHFFFAOYSA-N
XLogP2.81
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione?
The IUPAC name of 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione (CID 22643757) is 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione.
What is the SMILES notation for 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione?
The canonical SMILES for 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione is O=C1c2cc(O)c(Br)c(O)c2C(=O)c2cc(O)c(Br)c(O)c21.
What is the InChIKey of 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione?
The InChIKey is MEMOZDPTKFJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2O6/c15-9-5(17)1-3-7(13(9)21)12(20)4-2-6(18)10(16)14(22)8(4)11(3)19/h1-2,17-18,21-22H.
What are the key properties of 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione?
2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione has a molecular weight of 430.00 g/mol, XLogP of 2.81, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-1,3,5,7-tetrahydroxyanthracene-9,10-dione is sourced from PubChem (CID 22643757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).