5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid

C16H14N2O5 — CID 67589711

IUPAC5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid
SMILESCOCCOc1cc2cccnc2c2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C16H14N2O5/c1-22-5-6-23-12-7-9-3-2-4-17-14(9)15-13(12)11(19)8-10(18-15)16(20)21/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,20,21)
InChIKeySZNZDITVBNDWRT-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.80
Rot. Bonds5

About 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid

5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid (PubChem CID 67589711) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid
PubChem CID67589711
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid
SMILESCOCCOc1cc2cccnc2c2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C16H14N2O5/c1-22-5-6-23-12-7-9-3-2-4-17-14(9)15-13(12)11(19)8-10(18-15)16(20)21/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,20,21)
InChIKeySZNZDITVBNDWRT-UHFFFAOYSA-N
XLogP1.80
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid?
The IUPAC name of 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid (CID 67589711) is 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid is COCCOc1cc2cccnc2c2[nH]c(C(=O)O)cc(=O)c12.
What is the InChIKey of 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid?
The InChIKey is SZNZDITVBNDWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-22-5-6-23-12-7-9-3-2-4-17-14(9)15-13(12)11(19)8-10(18-15)16(20)21/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid?
5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-4-oxo-1H-1,10-phenanthroline-2-carboxylic acid is sourced from PubChem (CID 67589711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).