2-(1H-perimidin-2-yl)phenol

C17H12N2O — CID 135596650

IUPAC2-(1H-perimidin-2-yl)phenol
SMILESOc1ccccc1C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H12N2O/c20-15-10-2-1-7-12(15)17-18-13-8-3-5-11-6-4-9-14(19-17)16(11)13/h1-10,20H,(H,18,19)
InChIKeyUHAFDAMLTBUFFG-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.05
Rot. Bonds1

About 2-(1H-perimidin-2-yl)phenol

2-(1H-perimidin-2-yl)phenol (PubChem CID 135596650) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(1H-perimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(1H-perimidin-2-yl)phenol
PubChem CID135596650
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-(1H-perimidin-2-yl)phenol
SMILESOc1ccccc1C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H12N2O/c20-15-10-2-1-7-12(15)17-18-13-8-3-5-11-6-4-9-14(19-17)16(11)13/h1-10,20H,(H,18,19)
InChIKeyUHAFDAMLTBUFFG-UHFFFAOYSA-N
XLogP4.05
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-perimidin-2-yl)phenol?
The IUPAC name of 2-(1H-perimidin-2-yl)phenol (CID 135596650) is 2-(1H-perimidin-2-yl)phenol.
What is the SMILES notation for 2-(1H-perimidin-2-yl)phenol?
The canonical SMILES for 2-(1H-perimidin-2-yl)phenol is Oc1ccccc1C1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-(1H-perimidin-2-yl)phenol?
The InChIKey is UHAFDAMLTBUFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-15-10-2-1-7-12(15)17-18-13-8-3-5-11-6-4-9-14(19-17)16(11)13/h1-10,20H,(H,18,19).
What are the key properties of 2-(1H-perimidin-2-yl)phenol?
2-(1H-perimidin-2-yl)phenol has a molecular weight of 260.30 g/mol, XLogP of 4.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-perimidin-2-yl)phenol is sourced from PubChem (CID 135596650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).