2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol

C17H11F3N2O — CID 690691

IUPAC2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)15-10-13(12-8-4-5-9-14(12)23)21-16(22-15)11-6-2-1-3-7-11/h1-10,23H
InChIKeyPXGAZZSLFJADRL-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.53
Rot. Bonds2

About 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol

2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (PubChem CID 690691) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
PubChem CID690691
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Name2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)15-10-13(12-8-4-5-9-14(12)23)21-16(22-15)11-6-2-1-3-7-11/h1-10,23H
InChIKeyPXGAZZSLFJADRL-UHFFFAOYSA-N
XLogP4.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-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 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (CID 690691) is 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is Oc1ccccc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The InChIKey is PXGAZZSLFJADRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)15-10-13(12-8-4-5-9-14(12)23)21-16(22-15)11-6-2-1-3-7-11/h1-10,23H.
What are the key properties of 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol has a molecular weight of 316.28 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 690691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).