2-hydroxyanthracene-9,10-dione

C14H8O3 — CID 11796

IUPAC2-hydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(O)ccc21
InChIInChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
InChIKeyGCDBEYOJCZLKMC-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.17
Rot. Bonds

About 2-hydroxyanthracene-9,10-dione

2-hydroxyanthracene-9,10-dione (PubChem CID 11796) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-hydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name2-hydroxyanthracene-9,10-dione
PubChem CID11796
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Name2-hydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(O)ccc21
InChIInChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
InChIKeyGCDBEYOJCZLKMC-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
6-hydroxy-2,3-dimethylnaphthalene-1,4-dione
CID 86718674
2-hydroxy-5-methylfluoren-9-one
CID 82579449
6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one
CID 177165667
1,4-dianilino-6-hydroxyanthracene-9,10-dione
CID 86048148
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
5-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
CID 10125667
acetic acid;biphenylen-2-ol
CID 71351696
3-bromo-6-hydroxyphenanthrene-9,10-dione
CID 67151152
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyanthracene-9,10-dione?
The IUPAC name of 2-hydroxyanthracene-9,10-dione (CID 11796) is 2-hydroxyanthracene-9,10-dione.
What is the SMILES notation for 2-hydroxyanthracene-9,10-dione?
The canonical SMILES for 2-hydroxyanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(O)ccc21.
What is the InChIKey of 2-hydroxyanthracene-9,10-dione?
The InChIKey is GCDBEYOJCZLKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H.
What are the key properties of 2-hydroxyanthracene-9,10-dione?
2-hydroxyanthracene-9,10-dione has a molecular weight of 224.22 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyanthracene-9,10-dione is sourced from PubChem (CID 11796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).