3,8-dimethoxy-1,10-phenanthroline

C14H12N2O2 — CID 11390810

IUPAC3,8-dimethoxy-1,10-phenanthroline
SMILESCOc1cnc2c(ccc3cc(OC)cnc32)c1
InChIInChI=1S/C14H12N2O2/c1-17-11-5-9-3-4-10-6-12(18-2)8-16-14(10)13(9)15-7-11/h3-8H,1-2H3
InChIKeyDHYIXGVYUMTGRG-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.80
Rot. Bonds2

About 3,8-dimethoxy-1,10-phenanthroline

3,8-dimethoxy-1,10-phenanthroline (PubChem CID 11390810) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3,8-dimethoxy-1,10-phenanthroline.

Molecular Properties

Compound Name3,8-dimethoxy-1,10-phenanthroline
PubChem CID11390810
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3,8-dimethoxy-1,10-phenanthroline
SMILESCOc1cnc2c(ccc3cc(OC)cnc32)c1
InChIInChI=1S/C14H12N2O2/c1-17-11-5-9-3-4-10-6-12(18-2)8-16-14(10)13(9)15-7-11/h3-8H,1-2H3
InChIKeyDHYIXGVYUMTGRG-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 3,8-dimethoxy-1,10-phenanthroline?
The IUPAC name of 3,8-dimethoxy-1,10-phenanthroline (CID 11390810) is 3,8-dimethoxy-1,10-phenanthroline.
What is the SMILES notation for 3,8-dimethoxy-1,10-phenanthroline?
The canonical SMILES for 3,8-dimethoxy-1,10-phenanthroline is COc1cnc2c(ccc3cc(OC)cnc32)c1.
What is the InChIKey of 3,8-dimethoxy-1,10-phenanthroline?
The InChIKey is DHYIXGVYUMTGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-11-5-9-3-4-10-6-12(18-2)8-16-14(10)13(9)15-7-11/h3-8H,1-2H3.
What are the key properties of 3,8-dimethoxy-1,10-phenanthroline?
3,8-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 3,8-dimethoxy-1,10-phenanthroline is sourced from PubChem (CID 11390810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).