2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone

C18H12O6 — CID 59326459

IUPAC2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone
SMILESCc1c(C)c(=O)c2c(=O)c3c(=O)c(C)c(C)c(=O)c3c(=O)c2c1=O
InChIInChI=1S/C18H12O6/c1-5-6(2)14(20)10-9(13(5)19)17(23)11-12(18(10)24)16(22)8(4)7(3)15(11)21/h1-4H3
InChIKeyZYGHLOFKUXTAEM-UHFFFAOYSA-N
MW324.29 g/mol
LogP-0.30
Rot. Bonds

About 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone

2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone (PubChem CID 59326459) has the molecular formula C18H12O6 and a molecular weight of 324.29 g/mol. Its IUPAC name is 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone.

Molecular Properties

Compound Name2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone
PubChem CID59326459
Molecular FormulaC18H12O6
Molecular Weight324.29 g/mol
Exact Mass324.06
IUPAC Name2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone
SMILESCc1c(C)c(=O)c2c(=O)c3c(=O)c(C)c(C)c(=O)c3c(=O)c2c1=O
InChIInChI=1S/C18H12O6/c1-5-6(2)14(20)10-9(13(5)19)17(23)11-12(18(10)24)16(22)8(4)7(3)15(11)21/h1-4H3
InChIKeyZYGHLOFKUXTAEM-UHFFFAOYSA-N
XLogP-0.30
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone?
The IUPAC name of 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone (CID 59326459) is 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone.
What is the SMILES notation for 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone?
The canonical SMILES for 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone is Cc1c(C)c(=O)c2c(=O)c3c(=O)c(C)c(C)c(=O)c3c(=O)c2c1=O.
What is the InChIKey of 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone?
The InChIKey is ZYGHLOFKUXTAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O6/c1-5-6(2)14(20)10-9(13(5)19)17(23)11-12(18(10)24)16(22)8(4)7(3)15(11)21/h1-4H3.
What are the key properties of 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone?
2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone has a molecular weight of 324.29 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone is sourced from PubChem (CID 59326459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).