1,3-diethylanthracene-9,10-dione

C18H16O2 — CID 22321054

IUPAC1,3-diethylanthracene-9,10-dione
SMILESCCc1cc(CC)c2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H16O2/c1-3-11-9-12(4-2)16-15(10-11)17(19)13-7-5-6-8-14(13)18(16)20/h5-10H,3-4H2,1-2H3
InChIKeyZKKZIPCBLBTIJE-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.59
Rot. Bonds2

About 1,3-diethylanthracene-9,10-dione

1,3-diethylanthracene-9,10-dione (PubChem CID 22321054) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,3-diethylanthracene-9,10-dione.

Molecular Properties

Compound Name1,3-diethylanthracene-9,10-dione
PubChem CID22321054
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1,3-diethylanthracene-9,10-dione
SMILESCCc1cc(CC)c2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H16O2/c1-3-11-9-12(4-2)16-15(10-11)17(19)13-7-5-6-8-14(13)18(16)20/h5-10H,3-4H2,1-2H3
InChIKeyZKKZIPCBLBTIJE-UHFFFAOYSA-N
XLogP3.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylanthracene-9,10-dione?
The IUPAC name of 1,3-diethylanthracene-9,10-dione (CID 22321054) is 1,3-diethylanthracene-9,10-dione.
What is the SMILES notation for 1,3-diethylanthracene-9,10-dione?
The canonical SMILES for 1,3-diethylanthracene-9,10-dione is CCc1cc(CC)c2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1,3-diethylanthracene-9,10-dione?
The InChIKey is ZKKZIPCBLBTIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-3-11-9-12(4-2)16-15(10-11)17(19)13-7-5-6-8-14(13)18(16)20/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,3-diethylanthracene-9,10-dione?
1,3-diethylanthracene-9,10-dione has a molecular weight of 264.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylanthracene-9,10-dione is sourced from PubChem (CID 22321054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).