(7-formyloxy-1,10-phenanthrolin-4-yl) formate

C14H8N2O4 — CID 58250254

IUPAC(7-formyloxy-1,10-phenanthrolin-4-yl) formate
SMILESO=COc1ccnc2c1ccc1c(OC=O)ccnc12
InChIInChI=1S/C14H8N2O4/c17-7-19-11-3-5-15-13-9(11)1-2-10-12(20-8-18)4-6-16-14(10)13/h1-8H
InChIKeyGLDBOGLWBMNGOL-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.85
Rot. Bonds4

About (7-formyloxy-1,10-phenanthrolin-4-yl) formate

(7-formyloxy-1,10-phenanthrolin-4-yl) formate (PubChem CID 58250254) has the molecular formula C14H8N2O4 and a molecular weight of 268.23 g/mol. Its IUPAC name is (7-formyloxy-1,10-phenanthrolin-4-yl) formate.

Molecular Properties

Compound Name(7-formyloxy-1,10-phenanthrolin-4-yl) formate
PubChem CID58250254
Molecular FormulaC14H8N2O4
Molecular Weight268.23 g/mol
Exact Mass268.05
IUPAC Name(7-formyloxy-1,10-phenanthrolin-4-yl) formate
SMILESO=COc1ccnc2c1ccc1c(OC=O)ccnc12
InChIInChI=1S/C14H8N2O4/c17-7-19-11-3-5-15-13-9(11)1-2-10-12(20-8-18)4-6-16-14(10)13/h1-8H
InChIKeyGLDBOGLWBMNGOL-UHFFFAOYSA-N
XLogP1.85
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (7-formyloxy-1,10-phenanthrolin-4-yl) formate 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 (7-formyloxy-1,10-phenanthrolin-4-yl) formate?
The IUPAC name of (7-formyloxy-1,10-phenanthrolin-4-yl) formate (CID 58250254) is (7-formyloxy-1,10-phenanthrolin-4-yl) formate.
What is the SMILES notation for (7-formyloxy-1,10-phenanthrolin-4-yl) formate?
The canonical SMILES for (7-formyloxy-1,10-phenanthrolin-4-yl) formate is O=COc1ccnc2c1ccc1c(OC=O)ccnc12.
What is the InChIKey of (7-formyloxy-1,10-phenanthrolin-4-yl) formate?
The InChIKey is GLDBOGLWBMNGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O4/c17-7-19-11-3-5-15-13-9(11)1-2-10-12(20-8-18)4-6-16-14(10)13/h1-8H.
What are the key properties of (7-formyloxy-1,10-phenanthrolin-4-yl) formate?
(7-formyloxy-1,10-phenanthrolin-4-yl) formate has a molecular weight of 268.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-formyloxy-1,10-phenanthrolin-4-yl) formate is sourced from PubChem (CID 58250254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).