1,2,4,6-tetrahydroxyanthracene-9,10-dione

C14H8O6 — CID 22643677

IUPAC1,2,4,6-tetrahydroxyanthracene-9,10-dione
SMILESO=C1c2cc(O)ccc2C(=O)c2c(O)c(O)cc(O)c21
InChIInChI=1S/C14H8O6/c15-5-1-2-6-7(3-5)13(19)10-8(16)4-9(17)14(20)11(10)12(6)18/h1-4,15-17,20H
InChIKeyYDYZHFGRMQZMHP-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.28
Rot. Bonds

About 1,2,4,6-tetrahydroxyanthracene-9,10-dione

1,2,4,6-tetrahydroxyanthracene-9,10-dione (PubChem CID 22643677) has the molecular formula C14H8O6 and a molecular weight of 272.21 g/mol. Its IUPAC name is 1,2,4,6-tetrahydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,2,4,6-tetrahydroxyanthracene-9,10-dione
PubChem CID22643677
Molecular FormulaC14H8O6
Molecular Weight272.21 g/mol
Exact Mass272.03
IUPAC Name1,2,4,6-tetrahydroxyanthracene-9,10-dione
SMILESO=C1c2cc(O)ccc2C(=O)c2c(O)c(O)cc(O)c21
InChIInChI=1S/C14H8O6/c15-5-1-2-6-7(3-5)13(19)10-8(16)4-9(17)14(20)11(10)12(6)18/h1-4,15-17,20H
InChIKeyYDYZHFGRMQZMHP-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'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,6-tetrahydroxyanthracene-9,10-dione?
The IUPAC name of 1,2,4,6-tetrahydroxyanthracene-9,10-dione (CID 22643677) is 1,2,4,6-tetrahydroxyanthracene-9,10-dione.
What is the SMILES notation for 1,2,4,6-tetrahydroxyanthracene-9,10-dione?
The canonical SMILES for 1,2,4,6-tetrahydroxyanthracene-9,10-dione is O=C1c2cc(O)ccc2C(=O)c2c(O)c(O)cc(O)c21.
What is the InChIKey of 1,2,4,6-tetrahydroxyanthracene-9,10-dione?
The InChIKey is YDYZHFGRMQZMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O6/c15-5-1-2-6-7(3-5)13(19)10-8(16)4-9(17)14(20)11(10)12(6)18/h1-4,15-17,20H.
What are the key properties of 1,2,4,6-tetrahydroxyanthracene-9,10-dione?
1,2,4,6-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 1,2,4,6-tetrahydroxyanthracene-9,10-dione is sourced from PubChem (CID 22643677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).