1,3,6,8-tetrahydroxyanthracene-9,10-dione

C14H8O6 — CID 3016789

IUPAC1,3,6,8-tetrahydroxyanthracene-9,10-dione
SMILESO=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(O)cc21
InChIInChI=1S/C14H8O6/c15-5-1-7-11(9(17)3-5)14(20)12-8(13(7)19)2-6(16)4-10(12)18/h1-4,15-18H
InChIKeyNTGIIKCGBNGQAR-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.28
Rot. Bonds

About 1,3,6,8-tetrahydroxyanthracene-9,10-dione

1,3,6,8-tetrahydroxyanthracene-9,10-dione (PubChem CID 3016789) has the molecular formula C14H8O6 and a molecular weight of 272.21 g/mol. Its IUPAC name is 1,3,6,8-tetrahydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,3,6,8-tetrahydroxyanthracene-9,10-dione
PubChem CID3016789
Molecular FormulaC14H8O6
Molecular Weight272.21 g/mol
Exact Mass272.03
IUPAC Name1,3,6,8-tetrahydroxyanthracene-9,10-dione
SMILESO=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(O)cc21
InChIInChI=1S/C14H8O6/c15-5-1-7-11(9(17)3-5)14(20)12-8(13(7)19)2-6(16)4-10(12)18/h1-4,15-18H
InChIKeyNTGIIKCGBNGQAR-UHFFFAOYSA-N
XLogP1.28
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,8-tetrahydroxyanthracene-9,10-dione?
The IUPAC name of 1,3,6,8-tetrahydroxyanthracene-9,10-dione (CID 3016789) is 1,3,6,8-tetrahydroxyanthracene-9,10-dione.
What is the SMILES notation for 1,3,6,8-tetrahydroxyanthracene-9,10-dione?
The canonical SMILES for 1,3,6,8-tetrahydroxyanthracene-9,10-dione is O=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(O)cc21.
What is the InChIKey of 1,3,6,8-tetrahydroxyanthracene-9,10-dione?
The InChIKey is NTGIIKCGBNGQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O6/c15-5-1-7-11(9(17)3-5)14(20)12-8(13(7)19)2-6(16)4-10(12)18/h1-4,15-18H.
What are the key properties of 1,3,6,8-tetrahydroxyanthracene-9,10-dione?
1,3,6,8-tetrahydroxyanthracene-9,10-dione has a molecular weight of 272.21 g/mol, XLogP of 1.28, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetrahydroxyanthracene-9,10-dione is sourced from PubChem (CID 3016789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).