2,6-diethylanthracene-9,10-dione

C18H16O2 — CID 130464580

IUPAC2,6-diethylanthracene-9,10-dione
SMILESCCc1ccc2c(c1)C(=O)c1ccc(CC)cc1C2=O
InChIInChI=1S/C18H16O2/c1-3-11-5-7-13-15(9-11)17(19)14-8-6-12(4-2)10-16(14)18(13)20/h5-10H,3-4H2,1-2H3
InChIKeyGITPTINOBYLIPP-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.59
Rot. Bonds2

About 2,6-diethylanthracene-9,10-dione

2,6-diethylanthracene-9,10-dione (PubChem CID 130464580) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,6-diethylanthracene-9,10-dione.

Molecular Properties

Compound Name2,6-diethylanthracene-9,10-dione
PubChem CID130464580
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2,6-diethylanthracene-9,10-dione
SMILESCCc1ccc2c(c1)C(=O)c1ccc(CC)cc1C2=O
InChIInChI=1S/C18H16O2/c1-3-11-5-7-13-15(9-11)17(19)14-8-6-12(4-2)10-16(14)18(13)20/h5-10H,3-4H2,1-2H3
InChIKeyGITPTINOBYLIPP-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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Related Compounds

3-ethylfluoren-9-one
CID 11344805
2-ethylanthracene-9,10-dione;1,2,3,4,5,6,7,8-octamethylanthracene-9,10-dione
CID 69114392
2-propylanthracene-9,10-dione
CID 22643716
2,6-bis(hydroxymethyl)anthracene-9,10-dione
CID 68533927
2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone
CID 158395442
2-methyl-7-propylanthracene-9,10-dione
CID 118026365
6-ethyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22117289
2-octylanthracene-9,10-dione
CID 141254876
1,3-diethylanthracene-9,10-dione
CID 22321054
5-ethylindazol-3-one
CID 23063923
6-ethyl-3,3-dimethyl-2H-isoindol-1-one
CID 138530782
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206

Frequently Asked Questions

What is the IUPAC name of 2,6-diethylanthracene-9,10-dione?
The IUPAC name of 2,6-diethylanthracene-9,10-dione (CID 130464580) is 2,6-diethylanthracene-9,10-dione.
What is the SMILES notation for 2,6-diethylanthracene-9,10-dione?
The canonical SMILES for 2,6-diethylanthracene-9,10-dione is CCc1ccc2c(c1)C(=O)c1ccc(CC)cc1C2=O.
What is the InChIKey of 2,6-diethylanthracene-9,10-dione?
The InChIKey is GITPTINOBYLIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-3-11-5-7-13-15(9-11)17(19)14-8-6-12(4-2)10-16(14)18(13)20/h5-10H,3-4H2,1-2H3.
What are the key properties of 2,6-diethylanthracene-9,10-dione?
2,6-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 2,6-diethylanthracene-9,10-dione is sourced from PubChem (CID 130464580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).