3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol

C20H14N2O — CID 50942608

IUPAC3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol
SMILESOc1cccc(-c2ccc3c(-c4cncnc4)cccc3c2)c1
InChIInChI=1S/C20H14N2O/c23-18-5-1-3-14(10-18)15-7-8-20-16(9-15)4-2-6-19(20)17-11-21-13-22-12-17/h1-13,23H
InChIKeyOGFXFVVVBRBKIJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.67
Rot. Bonds2

About 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol

3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol (PubChem CID 50942608) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol.

Molecular Properties

Compound Name3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol
PubChem CID50942608
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol
SMILESOc1cccc(-c2ccc3c(-c4cncnc4)cccc3c2)c1
InChIInChI=1S/C20H14N2O/c23-18-5-1-3-14(10-18)15-7-8-20-16(9-15)4-2-6-19(20)17-11-21-13-22-12-17/h1-13,23H
InChIKeyOGFXFVVVBRBKIJ-UHFFFAOYSA-N
XLogP4.67
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol 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 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol?
The IUPAC name of 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol (CID 50942608) is 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol.
What is the SMILES notation for 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol?
The canonical SMILES for 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol is Oc1cccc(-c2ccc3c(-c4cncnc4)cccc3c2)c1.
What is the InChIKey of 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol?
The InChIKey is OGFXFVVVBRBKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-18-5-1-3-14(10-18)15-7-8-20-16(9-15)4-2-6-19(20)17-11-21-13-22-12-17/h1-13,23H.
What are the key properties of 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol?
3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol has a molecular weight of 298.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol is sourced from PubChem (CID 50942608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).