1,3,6,8-tetramethoxyanthracene-9,10-dione

C18H16O6 — CID 4649699

IUPAC1,3,6,8-tetramethoxyanthracene-9,10-dione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O
InChIInChI=1S/C18H16O6/c1-21-9-5-11-15(13(7-9)23-3)18(20)16-12(17(11)19)6-10(22-2)8-14(16)24-4/h5-8H,1-4H3
InChIKeyVFFWENDDWFNSFL-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.50
Rot. Bonds4

About 1,3,6,8-tetramethoxyanthracene-9,10-dione

1,3,6,8-tetramethoxyanthracene-9,10-dione (PubChem CID 4649699) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1,3,6,8-tetramethoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,3,6,8-tetramethoxyanthracene-9,10-dione
PubChem CID4649699
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name1,3,6,8-tetramethoxyanthracene-9,10-dione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O
InChIInChI=1S/C18H16O6/c1-21-9-5-11-15(13(7-9)23-3)18(20)16-12(17(11)19)6-10(22-2)8-14(16)24-4/h5-8H,1-4H3
InChIKeyVFFWENDDWFNSFL-UHFFFAOYSA-N
XLogP2.50
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1,3,6,8-tetramethoxyanthracene-9,10-dione?
The IUPAC name of 1,3,6,8-tetramethoxyanthracene-9,10-dione (CID 4649699) is 1,3,6,8-tetramethoxyanthracene-9,10-dione.
What is the SMILES notation for 1,3,6,8-tetramethoxyanthracene-9,10-dione?
The canonical SMILES for 1,3,6,8-tetramethoxyanthracene-9,10-dione is COc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O.
What is the InChIKey of 1,3,6,8-tetramethoxyanthracene-9,10-dione?
The InChIKey is VFFWENDDWFNSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-21-9-5-11-15(13(7-9)23-3)18(20)16-12(17(11)19)6-10(22-2)8-14(16)24-4/h5-8H,1-4H3.
What are the key properties of 1,3,6,8-tetramethoxyanthracene-9,10-dione?
1,3,6,8-tetramethoxyanthracene-9,10-dione has a molecular weight of 328.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetramethoxyanthracene-9,10-dione is sourced from PubChem (CID 4649699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).