1,4,9,10-tetramethoxyanthracene

C18H18O4 — CID 823104

IUPAC1,4,9,10-tetramethoxyanthracene
SMILESCOc1ccc(OC)c2c(OC)c3ccccc3c(OC)c12
InChIInChI=1S/C18H18O4/c1-19-13-9-10-14(20-2)16-15(13)17(21-3)11-7-5-6-8-12(11)18(16)22-4/h5-10H,1-4H3
InChIKeyZGXOFFYTQJJDIN-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.03
Rot. Bonds4

About 1,4,9,10-tetramethoxyanthracene

1,4,9,10-tetramethoxyanthracene (PubChem CID 823104) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1,4,9,10-tetramethoxyanthracene.

Molecular Properties

Compound Name1,4,9,10-tetramethoxyanthracene
PubChem CID823104
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1,4,9,10-tetramethoxyanthracene
SMILESCOc1ccc(OC)c2c(OC)c3ccccc3c(OC)c12
InChIInChI=1S/C18H18O4/c1-19-13-9-10-14(20-2)16-15(13)17(21-3)11-7-5-6-8-12(11)18(16)22-4/h5-10H,1-4H3
InChIKeyZGXOFFYTQJJDIN-UHFFFAOYSA-N
XLogP4.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,9,10-tetramethoxyanthracene?
The IUPAC name of 1,4,9,10-tetramethoxyanthracene (CID 823104) is 1,4,9,10-tetramethoxyanthracene.
What is the SMILES notation for 1,4,9,10-tetramethoxyanthracene?
The canonical SMILES for 1,4,9,10-tetramethoxyanthracene is COc1ccc(OC)c2c(OC)c3ccccc3c(OC)c12.
What is the InChIKey of 1,4,9,10-tetramethoxyanthracene?
The InChIKey is ZGXOFFYTQJJDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-19-13-9-10-14(20-2)16-15(13)17(21-3)11-7-5-6-8-12(11)18(16)22-4/h5-10H,1-4H3.
What are the key properties of 1,4,9,10-tetramethoxyanthracene?
1,4,9,10-tetramethoxyanthracene has a molecular weight of 298.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9,10-tetramethoxyanthracene is sourced from PubChem (CID 823104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).