2-acetyl-3-methylanthracene-9,10-dione

C17H12O3 — CID 141079935

IUPAC2-acetyl-3-methylanthracene-9,10-dione
SMILESCC(=O)c1cc2c(cc1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H12O3/c1-9-7-14-15(8-13(9)10(2)18)17(20)12-6-4-3-5-11(12)16(14)19/h3-8H,1-2H3
InChIKeyAFMQQSNOAXSYBI-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.97
Rot. Bonds1

About 2-acetyl-3-methylanthracene-9,10-dione

2-acetyl-3-methylanthracene-9,10-dione (PubChem CID 141079935) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-acetyl-3-methylanthracene-9,10-dione.

Molecular Properties

Compound Name2-acetyl-3-methylanthracene-9,10-dione
PubChem CID141079935
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2-acetyl-3-methylanthracene-9,10-dione
SMILESCC(=O)c1cc2c(cc1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H12O3/c1-9-7-14-15(8-13(9)10(2)18)17(20)12-6-4-3-5-11(12)16(14)19/h3-8H,1-2H3
InChIKeyAFMQQSNOAXSYBI-UHFFFAOYSA-N
XLogP2.97
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
2-chloro-3-methylanthracene-9,10-dione;2,3-dichloroanthracene-9,10-dione
CID 162025224
2-acetyl-1-hydroxyanthracene-9,10-dione
CID 12033048
9,10-dioxo-3-sulfanylanthracene-2-carboxylic acid
CID 154106700
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261
ethane;bis(fluoren-9-one);methanol
CID 162250310
anthracene-9,10-dione;phthalic acid
CID 158904853
ethane;1-(2-methylphenyl)ethanone
CID 91374073

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-methylanthracene-9,10-dione?
The IUPAC name of 2-acetyl-3-methylanthracene-9,10-dione (CID 141079935) is 2-acetyl-3-methylanthracene-9,10-dione.
What is the SMILES notation for 2-acetyl-3-methylanthracene-9,10-dione?
The canonical SMILES for 2-acetyl-3-methylanthracene-9,10-dione is CC(=O)c1cc2c(cc1C)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-acetyl-3-methylanthracene-9,10-dione?
The InChIKey is AFMQQSNOAXSYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-9-7-14-15(8-13(9)10(2)18)17(20)12-6-4-3-5-11(12)16(14)19/h3-8H,1-2H3.
What are the key properties of 2-acetyl-3-methylanthracene-9,10-dione?
2-acetyl-3-methylanthracene-9,10-dione has a molecular weight of 264.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-methylanthracene-9,10-dione is sourced from PubChem (CID 141079935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).