2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol

C20H14N4O2 — CID 135589912

IUPAC2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
SMILESCOc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O
InChIInChI=1S/C20H14N4O2/c1-26-14-8-2-5-13(19(14)25)20-23-17-11-6-3-9-21-15(11)16-12(18(17)24-20)7-4-10-22-16/h2-10,25H,1H3,(H,23,24)
InChIKeyTWLWSVJREFONKJ-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.04
Rot. Bonds2

About 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol

2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol (PubChem CID 135589912) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
PubChem CID135589912
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
SMILESCOc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O
InChIInChI=1S/C20H14N4O2/c1-26-14-8-2-5-13(19(14)25)20-23-17-11-6-3-9-21-15(11)16-12(18(17)24-20)7-4-10-22-16/h2-10,25H,1H3,(H,23,24)
InChIKeyTWLWSVJREFONKJ-UHFFFAOYSA-N
XLogP4.04
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol?
The IUPAC name of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol (CID 135589912) is 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol.
What is the SMILES notation for 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol?
The canonical SMILES for 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol is COc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.
What is the InChIKey of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol?
The InChIKey is TWLWSVJREFONKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-26-14-8-2-5-13(19(14)25)20-23-17-11-6-3-9-21-15(11)16-12(18(17)24-20)7-4-10-22-16/h2-10,25H,1H3,(H,23,24).
What are the key properties of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol?
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol has a molecular weight of 342.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol is sourced from PubChem (CID 135589912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).