1,2-dihydroxyanthracene-9,10-dione;ethanol

C16H14O5 — CID 68974663

IUPAC1,2-dihydroxyanthracene-9,10-dione;ethanol
SMILESCCO.O=C1c2ccccc2C(=O)c2c1ccc(O)c2O
InChIInChI=1S/C14H8O4.C2H6O/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16;1-2-3/h1-6,15,18H;3H,2H2,1H3
InChIKeyXHEYIHUIYPZJEG-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.87
Rot. Bonds

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

1,2-dihydroxyanthracene-9,10-dione;ethanol (PubChem CID 68974663) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1,2-dihydroxyanthracene-9,10-dione;ethanol.

Molecular Properties

Compound Name1,2-dihydroxyanthracene-9,10-dione;ethanol
PubChem CID68974663
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name1,2-dihydroxyanthracene-9,10-dione;ethanol
SMILESCCO.O=C1c2ccccc2C(=O)c2c1ccc(O)c2O
InChIInChI=1S/C14H8O4.C2H6O/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16;1-2-3/h1-6,15,18H;3H,2H2,1H3
InChIKeyXHEYIHUIYPZJEG-UHFFFAOYSA-N
XLogP1.87
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

1,2-dihydroxyanthracene-9,10-dione;tetrahydrochloride
CID 159491236
1,2-dihydroxyanthracene-9,10-dione;1,2,4-trihydroxyanthracene-9,10-dione
CID 87387452
1-hydroxy-2-(2-methylpropyl)anthracene-9,10-dione
CID 10516857
2-acetyl-1-hydroxyanthracene-9,10-dione
CID 12033048
1,2,3-trihydroxyanthracene-9,10-dione
CID 11768
anthracene-9,10-dione;propane
CID 162068050
CID 158452185
CID 158452185
2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid
CID 20527657
(1-hydroxy-9,10-dioxoanthracen-2-yl) hydrogen sulfate
CID 22134392
tris(fluoren-9-one);methane;methanol;propane
CID 158940113
1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
CID 153490221
3-(diethylaminomethyl)-1,2-dihydroxyanthracene-9,10-dione
CID 15731144

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxyanthracene-9,10-dione;ethanol?
The IUPAC name of 1,2-dihydroxyanthracene-9,10-dione;ethanol (CID 68974663) is 1,2-dihydroxyanthracene-9,10-dione;ethanol.
What is the SMILES notation for 1,2-dihydroxyanthracene-9,10-dione;ethanol?
The canonical SMILES for 1,2-dihydroxyanthracene-9,10-dione;ethanol is CCO.O=C1c2ccccc2C(=O)c2c1ccc(O)c2O.
What is the InChIKey of 1,2-dihydroxyanthracene-9,10-dione;ethanol?
The InChIKey is XHEYIHUIYPZJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4.C2H6O/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16;1-2-3/h1-6,15,18H;3H,2H2,1H3.
What are the key properties of 1,2-dihydroxyanthracene-9,10-dione;ethanol?
1,2-dihydroxyanthracene-9,10-dione;ethanol has a molecular weight of 286.28 g/mol, XLogP of 1.87, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxyanthracene-9,10-dione;ethanol is sourced from PubChem (CID 68974663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).