2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol

C20H14F3NO — CID 175530136

IUPAC2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-c1ccccc1C=Cc1ccccn1
InChIInChI=1S/C20H14F3NO/c21-20(22,23)15-9-11-19(25)18(13-15)17-7-2-1-5-14(17)8-10-16-6-3-4-12-24-16/h1-13,25H
InChIKeyPUQIOPXHDFWFFD-UHFFFAOYSA-N
MW341.33 g/mol
LogP5.64
Rot. Bonds3

About 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol

2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol (PubChem CID 175530136) has the molecular formula C20H14F3NO and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol
PubChem CID175530136
Molecular FormulaC20H14F3NO
Molecular Weight341.33 g/mol
Exact Mass341.10
IUPAC Name2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-c1ccccc1C=Cc1ccccn1
InChIInChI=1S/C20H14F3NO/c21-20(22,23)15-9-11-19(25)18(13-15)17-7-2-1-5-14(17)8-10-16-6-3-4-12-24-16/h1-13,25H
InChIKeyPUQIOPXHDFWFFD-UHFFFAOYSA-N
XLogP5.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.33
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol?
The IUPAC name of 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol (CID 175530136) is 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)cc1-c1ccccc1C=Cc1ccccn1.
What is the InChIKey of 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol?
The InChIKey is PUQIOPXHDFWFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO/c21-20(22,23)15-9-11-19(25)18(13-15)17-7-2-1-5-14(17)8-10-16-6-3-4-12-24-16/h1-13,25H.
What are the key properties of 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol?
2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol has a molecular weight of 341.33 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-2-ylethenyl)phenyl]-4-(trifluoromethyl)phenol is sourced from PubChem (CID 175530136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).