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

C19H14F3NO2 — CID 137317421

IUPAC4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESCOc1ccc(O)c(-c2cc(C(F)(F)F)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H14F3NO2/c1-25-14-7-8-18(24)15(11-14)17-10-13(19(20,21)22)9-16(23-17)12-5-3-2-4-6-12/h2-11,24H,1H3
InChIKeyZOCJNJSMUHNCFG-UHFFFAOYSA-N
MW345.32 g/mol
LogP5.15
Rot. Bonds3

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

4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 137317421) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID137317421
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESCOc1ccc(O)c(-c2cc(C(F)(F)F)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H14F3NO2/c1-25-14-7-8-18(24)15(11-14)17-10-13(19(20,21)22)9-16(23-17)12-5-3-2-4-6-12/h2-11,24H,1H3
InChIKeyZOCJNJSMUHNCFG-UHFFFAOYSA-N
XLogP5.15
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 136862136
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate
CID 159382088
5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 943784
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
2-(3-fluoro-5-methylphenyl)-4-methoxyphenol
CID 104707351
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol
CID 159753268
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
CID 159050723
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146186096
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol (CID 137317421) is 4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol is COc1ccc(O)c(-c2cc(C(F)(F)F)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is ZOCJNJSMUHNCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c1-25-14-7-8-18(24)15(11-14)17-10-13(19(20,21)22)9-16(23-17)12-5-3-2-4-6-12/h2-11,24H,1H3.
What are the key properties of 4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol has a molecular weight of 345.32 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 137317421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).