1,2,5,8-tetrahydroxyanthracene-9,10-dione

C14H8O6 — CID 5004

IUPAC1,2,5,8-tetrahydroxyanthracene-9,10-dione
SMILESO=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21
InChIInChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
InChIKeyVBHKTXLEJZIDJF-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.28
Rot. Bonds

About 1,2,5,8-tetrahydroxyanthracene-9,10-dione

1,2,5,8-tetrahydroxyanthracene-9,10-dione (PubChem CID 5004) has the molecular formula C14H8O6 and a molecular weight of 272.21 g/mol. Its IUPAC name is 1,2,5,8-tetrahydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,2,5,8-tetrahydroxyanthracene-9,10-dione
PubChem CID5004
Molecular FormulaC14H8O6
Molecular Weight272.21 g/mol
Exact Mass272.03
IUPAC Name1,2,5,8-tetrahydroxyanthracene-9,10-dione
SMILESO=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21
InChIInChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
InChIKeyVBHKTXLEJZIDJF-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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Related Compounds

CID 10208
CID 10208
CID 3220
CID 3220
CID 6293
CID 6293
CID 10168
CID 10168
CID 2950
CID 2950
CID 2202
CID 2202
CID 6683
CID 6683
CID 6688
CID 6688
CID 10207
CID 10207
CID 8512
CID 8512
CID 10163
CID 10163
CID 6776
CID 6776

Frequently Asked Questions

What is the IUPAC name of 1,2,5,8-tetrahydroxyanthracene-9,10-dione?
The IUPAC name of 1,2,5,8-tetrahydroxyanthracene-9,10-dione (CID 5004) is 1,2,5,8-tetrahydroxyanthracene-9,10-dione.
What is the SMILES notation for 1,2,5,8-tetrahydroxyanthracene-9,10-dione?
The canonical SMILES for 1,2,5,8-tetrahydroxyanthracene-9,10-dione is O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21.
What is the InChIKey of 1,2,5,8-tetrahydroxyanthracene-9,10-dione?
The InChIKey is VBHKTXLEJZIDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H.
What are the key properties of 1,2,5,8-tetrahydroxyanthracene-9,10-dione?
1,2,5,8-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 1,2,5,8-tetrahydroxyanthracene-9,10-dione is sourced from PubChem (CID 5004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).