1,2,3,4,5,6,7,8-octamethoxyanthracene

C22H26O8 — CID 174988413

IUPAC1,2,3,4,5,6,7,8-octamethoxyanthracene
SMILESCOc1c(OC)c(OC)c2cc3c(OC)c(OC)c(OC)c(OC)c3cc2c1OC
InChIInChI=1S/C22H26O8/c1-23-15-11-9-13-14(10-12(11)16(24-2)20(28-6)19(15)27-5)18(26-4)22(30-8)21(29-7)17(13)25-3/h9-10H,1-8H3
InChIKeyUSQORNIYKDGBEZ-UHFFFAOYSA-N
MW418.44 g/mol
LogP4.06
Rot. Bonds8

About 1,2,3,4,5,6,7,8-octamethoxyanthracene

1,2,3,4,5,6,7,8-octamethoxyanthracene (PubChem CID 174988413) has the molecular formula C22H26O8 and a molecular weight of 418.44 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octamethoxyanthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octamethoxyanthracene
PubChem CID174988413
Molecular FormulaC22H26O8
Molecular Weight418.44 g/mol
Exact Mass418.16
IUPAC Name1,2,3,4,5,6,7,8-octamethoxyanthracene
SMILESCOc1c(OC)c(OC)c2cc3c(OC)c(OC)c(OC)c(OC)c3cc2c1OC
InChIInChI=1S/C22H26O8/c1-23-15-11-9-13-14(10-12(11)16(24-2)20(28-6)19(15)27-5)18(26-4)22(30-8)21(29-7)17(13)25-3/h9-10H,1-8H3
InChIKeyUSQORNIYKDGBEZ-UHFFFAOYSA-N
XLogP4.06
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 1,2,3,4,5,6,7,8-octamethoxyanthracene?
The IUPAC name of 1,2,3,4,5,6,7,8-octamethoxyanthracene (CID 174988413) is 1,2,3,4,5,6,7,8-octamethoxyanthracene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octamethoxyanthracene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octamethoxyanthracene is COc1c(OC)c(OC)c2cc3c(OC)c(OC)c(OC)c(OC)c3cc2c1OC.
What is the InChIKey of 1,2,3,4,5,6,7,8-octamethoxyanthracene?
The InChIKey is USQORNIYKDGBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O8/c1-23-15-11-9-13-14(10-12(11)16(24-2)20(28-6)19(15)27-5)18(26-4)22(30-8)21(29-7)17(13)25-3/h9-10H,1-8H3.
What are the key properties of 1,2,3,4,5,6,7,8-octamethoxyanthracene?
1,2,3,4,5,6,7,8-octamethoxyanthracene has a molecular weight of 418.44 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octamethoxyanthracene is sourced from PubChem (CID 174988413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).