2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol

C18H12F3NO — CID 135721619

IUPAC2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)13-10-15(12-6-2-1-3-7-12)22-16(11-13)14-8-4-5-9-17(14)23/h1-11,23H
InChIKeyWTRCZSZORJOBDJ-UHFFFAOYSA-N
MW315.29 g/mol
LogP5.14
Rot. Bonds2

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

2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 135721619) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID135721619
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)F)cc(-c2ccccc2)n1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)13-10-15(12-6-2-1-3-7-12)22-16(11-13)14-8-4-5-9-17(14)23/h1-11,23H
InChIKeyWTRCZSZORJOBDJ-UHFFFAOYSA-N
XLogP5.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol (CID 135721619) is 2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol is Oc1ccccc1-c1cc(C(F)(F)F)cc(-c2ccccc2)n1.
What is the InChIKey of 2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is WTRCZSZORJOBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c19-18(20,21)13-10-15(12-6-2-1-3-7-12)22-16(11-13)14-8-4-5-9-17(14)23/h1-11,23H.
What are the key properties of 2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol has a molecular weight of 315.29 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 135721619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).