4,7-dimethoxy-1,10-phenanthroline

C14H12N2O2 — CID 10462298

IUPAC4,7-dimethoxy-1,10-phenanthroline
SMILESCOc1ccnc2c1ccc1c(OC)ccnc12
InChIInChI=1S/C14H12N2O2/c1-17-11-5-7-15-13-9(11)3-4-10-12(18-2)6-8-16-14(10)13/h3-8H,1-2H3
InChIKeyZPGVCQYKXIQWTP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.80
Rot. Bonds2

About 4,7-dimethoxy-1,10-phenanthroline

4,7-dimethoxy-1,10-phenanthroline (PubChem CID 10462298) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4,7-dimethoxy-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-dimethoxy-1,10-phenanthroline
PubChem CID10462298
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4,7-dimethoxy-1,10-phenanthroline
SMILESCOc1ccnc2c1ccc1c(OC)ccnc12
InChIInChI=1S/C14H12N2O2/c1-17-11-5-7-15-13-9(11)3-4-10-12(18-2)6-8-16-14(10)13/h3-8H,1-2H3
InChIKeyZPGVCQYKXIQWTP-UHFFFAOYSA-N
XLogP2.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1,10-phenanthroline?
The IUPAC name of 4,7-dimethoxy-1,10-phenanthroline (CID 10462298) is 4,7-dimethoxy-1,10-phenanthroline.
What is the SMILES notation for 4,7-dimethoxy-1,10-phenanthroline?
The canonical SMILES for 4,7-dimethoxy-1,10-phenanthroline is COc1ccnc2c1ccc1c(OC)ccnc12.
What is the InChIKey of 4,7-dimethoxy-1,10-phenanthroline?
The InChIKey is ZPGVCQYKXIQWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-11-5-7-15-13-9(11)3-4-10-12(18-2)6-8-16-14(10)13/h3-8H,1-2H3.
What are the key properties of 4,7-dimethoxy-1,10-phenanthroline?
4,7-dimethoxy-1,10-phenanthroline has a molecular weight of 240.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1,10-phenanthroline is sourced from PubChem (CID 10462298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).