2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline

C18H20N2O2 — CID 102487676

IUPAC2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline
SMILESCCc1cc(OC)c2ccc3c(OC)cc(CC)nc3c2n1
InChIInChI=1S/C18H20N2O2/c1-5-11-9-15(21-3)13-7-8-14-16(22-4)10-12(6-2)20-18(14)17(13)19-11/h7-10H,5-6H2,1-4H3
InChIKeyKAWZGAIRSYHXEB-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.92
Rot. Bonds4

About 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline

2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline (PubChem CID 102487676) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline
PubChem CID102487676
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline
SMILESCCc1cc(OC)c2ccc3c(OC)cc(CC)nc3c2n1
InChIInChI=1S/C18H20N2O2/c1-5-11-9-15(21-3)13-7-8-14-16(22-4)10-12(6-2)20-18(14)17(13)19-11/h7-10H,5-6H2,1-4H3
InChIKeyKAWZGAIRSYHXEB-UHFFFAOYSA-N
XLogP3.92
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline?
The IUPAC name of 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline (CID 102487676) is 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline.
What is the SMILES notation for 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline?
The canonical SMILES for 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline is CCc1cc(OC)c2ccc3c(OC)cc(CC)nc3c2n1.
What is the InChIKey of 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline?
The InChIKey is KAWZGAIRSYHXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-5-11-9-15(21-3)13-7-8-14-16(22-4)10-12(6-2)20-18(14)17(13)19-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline?
2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline has a molecular weight of 296.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diethyl-4,7-dimethoxy-1,10-phenanthroline is sourced from PubChem (CID 102487676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).