2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene

C23H28O6 — CID 11304133

IUPAC2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene
SMILESCCOC(C)OCc1ccc2cc3cccc(OCOC)c3cc2c1OCOC
InChIInChI=1S/C23H28O6/c1-5-26-16(2)27-13-19-10-9-18-11-17-7-6-8-22(28-14-24-3)20(17)12-21(18)23(19)29-15-25-4/h6-12,16H,5,13-15H2,1-4H3
InChIKeyAUYQTNWOCPQMNW-UHFFFAOYSA-N
MW400.47 g/mol
LogP4.86
Rot. Bonds11

About 2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene

2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene (PubChem CID 11304133) has the molecular formula C23H28O6 and a molecular weight of 400.47 g/mol. Its IUPAC name is 2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene.

Molecular Properties

Compound Name2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene
PubChem CID11304133
Molecular FormulaC23H28O6
Molecular Weight400.47 g/mol
Exact Mass400.19
IUPAC Name2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene
SMILESCCOC(C)OCc1ccc2cc3cccc(OCOC)c3cc2c1OCOC
InChIInChI=1S/C23H28O6/c1-5-26-16(2)27-13-19-10-9-18-11-17-7-6-8-22(28-14-24-3)20(17)12-21(18)23(19)29-15-25-4/h6-12,16H,5,13-15H2,1-4H3
InChIKeyAUYQTNWOCPQMNW-UHFFFAOYSA-N
XLogP4.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene?
The IUPAC name of 2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene (CID 11304133) is 2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene.
What is the SMILES notation for 2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene?
The canonical SMILES for 2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene is CCOC(C)OCc1ccc2cc3cccc(OCOC)c3cc2c1OCOC.
What is the InChIKey of 2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene?
The InChIKey is AUYQTNWOCPQMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O6/c1-5-26-16(2)27-13-19-10-9-18-11-17-7-6-8-22(28-14-24-3)20(17)12-21(18)23(19)29-15-25-4/h6-12,16H,5,13-15H2,1-4H3.
What are the key properties of 2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene?
2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene has a molecular weight of 400.47 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethoxymethyl)-1,8-bis(methoxymethoxy)anthracene is sourced from PubChem (CID 11304133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).