1,2,4,7-tetramethylanthracene-9,10-dione

C18H16O2 — CID 23454169

IUPAC1,2,4,7-tetramethylanthracene-9,10-dione
SMILESCc1ccc2c(c1)C(=O)c1c(C)c(C)cc(C)c1C2=O
InChIInChI=1S/C18H16O2/c1-9-5-6-13-14(7-9)18(20)16-12(4)10(2)8-11(3)15(16)17(13)19/h5-8H,1-4H3
InChIKeyAWFOHSBOBYAJCH-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.70
Rot. Bonds

About 1,2,4,7-tetramethylanthracene-9,10-dione

1,2,4,7-tetramethylanthracene-9,10-dione (PubChem CID 23454169) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,2,4,7-tetramethylanthracene-9,10-dione.

Molecular Properties

Compound Name1,2,4,7-tetramethylanthracene-9,10-dione
PubChem CID23454169
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1,2,4,7-tetramethylanthracene-9,10-dione
SMILESCc1ccc2c(c1)C(=O)c1c(C)c(C)cc(C)c1C2=O
InChIInChI=1S/C18H16O2/c1-9-5-6-13-14(7-9)18(20)16-12(4)10(2)8-11(3)15(16)17(13)19/h5-8H,1-4H3
InChIKeyAWFOHSBOBYAJCH-UHFFFAOYSA-N
XLogP3.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.70
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 1,2,4,7-tetramethylanthracene-9,10-dione?
The IUPAC name of 1,2,4,7-tetramethylanthracene-9,10-dione (CID 23454169) is 1,2,4,7-tetramethylanthracene-9,10-dione.
What is the SMILES notation for 1,2,4,7-tetramethylanthracene-9,10-dione?
The canonical SMILES for 1,2,4,7-tetramethylanthracene-9,10-dione is Cc1ccc2c(c1)C(=O)c1c(C)c(C)cc(C)c1C2=O.
What is the InChIKey of 1,2,4,7-tetramethylanthracene-9,10-dione?
The InChIKey is AWFOHSBOBYAJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-9-5-6-13-14(7-9)18(20)16-12(4)10(2)8-11(3)15(16)17(13)19/h5-8H,1-4H3.
What are the key properties of 1,2,4,7-tetramethylanthracene-9,10-dione?
1,2,4,7-tetramethylanthracene-9,10-dione has a molecular weight of 264.32 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,7-tetramethylanthracene-9,10-dione is sourced from PubChem (CID 23454169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).