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

C18H12F3NO2 — CID 136862136

IUPAC4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C18H12F3NO2/c19-18(20,21)13-9-16(11-1-5-14(23)6-2-11)22-17(10-13)12-3-7-15(24)8-4-12/h1-10,23-24H
InChIKeyRMAYRGGPRRVGEQ-UHFFFAOYSA-N
MW331.29 g/mol
LogP4.85
Rot. Bonds2

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

4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 136862136) has the molecular formula C18H12F3NO2 and a molecular weight of 331.29 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID136862136
Molecular FormulaC18H12F3NO2
Molecular Weight331.29 g/mol
Exact Mass331.08
IUPAC Name4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C18H12F3NO2/c19-18(20,21)13-9-16(11-1-5-14(23)6-2-11)22-17(10-13)12-3-7-15(24)8-4-12/h1-10,23-24H
InChIKeyRMAYRGGPRRVGEQ-UHFFFAOYSA-N
XLogP4.85
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
2-(2-iodo-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 86615464
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716554
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-(2,6-diphenyl-4-pyridinyl)phenol
CID 4640455
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 137317421

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol (CID 136862136) is 4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol is Oc1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is RMAYRGGPRRVGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2/c19-18(20,21)13-9-16(11-1-5-14(23)6-2-11)22-17(10-13)12-3-7-15(24)8-4-12/h1-10,23-24H.
What are the key properties of 4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol?
4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol has a molecular weight of 331.29 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 136862136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).