2-acetyl-1-hydroxyanthracene-9,10-dione

C16H10O4 — CID 12033048

IUPAC2-acetyl-1-hydroxyanthracene-9,10-dione
SMILESCC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10O4/c1-8(17)9-6-7-12-13(15(9)19)16(20)11-5-3-2-4-10(11)14(12)18/h2-7,19H,1H3
InChIKeyHRFNQGBHOJAYAH-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.37
Rot. Bonds1

About 2-acetyl-1-hydroxyanthracene-9,10-dione

2-acetyl-1-hydroxyanthracene-9,10-dione (PubChem CID 12033048) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-acetyl-1-hydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name2-acetyl-1-hydroxyanthracene-9,10-dione
PubChem CID12033048
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name2-acetyl-1-hydroxyanthracene-9,10-dione
SMILESCC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10O4/c1-8(17)9-6-7-12-13(15(9)19)16(20)11-5-3-2-4-10(11)14(12)18/h2-7,19H,1H3
InChIKeyHRFNQGBHOJAYAH-UHFFFAOYSA-N
XLogP2.37
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) 1-hydroxy-9,10-dioxoanthracene-2-carboxylate
CID 3126046
1,2-dihydroxyanthracene-9,10-dione;tetrahydrochloride
CID 159491236
1,2-dihydroxyanthracene-9,10-dione;ethanol
CID 68974663
dilithium;9,10-dioxoanthracene-1,2-dicarboxylate
CID 175522887
(4-chlorophenyl) 1-hydroxy-9,10-dioxoanthracene-2-carboxylate
CID 171983147
1-hydroxy-2-(2-methylpropyl)anthracene-9,10-dione
CID 10516857
(1-hydroxy-9,10-dioxoanthracen-2-yl) hydrogen sulfate
CID 22134392
N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide
CID 165362960
1-(ethylamino)-9,10-dioxoanthracene-2-carboxylate
CID 7064882
2-acetyl-3-methylanthracene-9,10-dione
CID 141079935
methyl 1-iodo-9,10-dioxoanthracene-2-carboxylate
CID 15365553
1,2-dihydroxyanthracene-9,10-dione;1,2,4-trihydroxyanthracene-9,10-dione
CID 87387452

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1-hydroxyanthracene-9,10-dione?
The IUPAC name of 2-acetyl-1-hydroxyanthracene-9,10-dione (CID 12033048) is 2-acetyl-1-hydroxyanthracene-9,10-dione.
What is the SMILES notation for 2-acetyl-1-hydroxyanthracene-9,10-dione?
The canonical SMILES for 2-acetyl-1-hydroxyanthracene-9,10-dione is CC(=O)c1ccc2c(c1O)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-acetyl-1-hydroxyanthracene-9,10-dione?
The InChIKey is HRFNQGBHOJAYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c1-8(17)9-6-7-12-13(15(9)19)16(20)11-5-3-2-4-10(11)14(12)18/h2-7,19H,1H3.
What are the key properties of 2-acetyl-1-hydroxyanthracene-9,10-dione?
2-acetyl-1-hydroxyanthracene-9,10-dione has a molecular weight of 266.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1-hydroxyanthracene-9,10-dione is sourced from PubChem (CID 12033048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).