4-(1,10-phenanthrolin-5-yl)phenol

C18H12N2O — CID 136798524

IUPAC4-(1,10-phenanthrolin-5-yl)phenol
SMILESOc1ccc(-c2cc3cccnc3c3ncccc23)cc1
InChIInChI=1S/C18H12N2O/c21-14-7-5-12(6-8-14)16-11-13-3-1-9-19-17(13)18-15(16)4-2-10-20-18/h1-11,21H
InChIKeyQTNHUOYVHRDKMP-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.16
Rot. Bonds1

About 4-(1,10-phenanthrolin-5-yl)phenol

4-(1,10-phenanthrolin-5-yl)phenol (PubChem CID 136798524) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(1,10-phenanthrolin-5-yl)phenol.

Molecular Properties

Compound Name4-(1,10-phenanthrolin-5-yl)phenol
PubChem CID136798524
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name4-(1,10-phenanthrolin-5-yl)phenol
SMILESOc1ccc(-c2cc3cccnc3c3ncccc23)cc1
InChIInChI=1S/C18H12N2O/c21-14-7-5-12(6-8-14)16-11-13-3-1-9-19-17(13)18-15(16)4-2-10-20-18/h1-11,21H
InChIKeyQTNHUOYVHRDKMP-UHFFFAOYSA-N
XLogP4.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,10-phenanthrolin-5-yl)phenol?
The IUPAC name of 4-(1,10-phenanthrolin-5-yl)phenol (CID 136798524) is 4-(1,10-phenanthrolin-5-yl)phenol.
What is the SMILES notation for 4-(1,10-phenanthrolin-5-yl)phenol?
The canonical SMILES for 4-(1,10-phenanthrolin-5-yl)phenol is Oc1ccc(-c2cc3cccnc3c3ncccc23)cc1.
What is the InChIKey of 4-(1,10-phenanthrolin-5-yl)phenol?
The InChIKey is QTNHUOYVHRDKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c21-14-7-5-12(6-8-14)16-11-13-3-1-9-19-17(13)18-15(16)4-2-10-20-18/h1-11,21H.
What are the key properties of 4-(1,10-phenanthrolin-5-yl)phenol?
4-(1,10-phenanthrolin-5-yl)phenol has a molecular weight of 272.31 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,10-phenanthrolin-5-yl)phenol is sourced from PubChem (CID 136798524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).