2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol

C24H16F3NO — CID 174768206

IUPAC2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(-c2cccc(-c3ccc(C(F)(F)F)nc3)c2)cc1
InChIInChI=1S/C24H16F3NO/c25-24(26,27)23-13-12-20(15-28-23)19-5-3-4-18(14-19)16-8-10-17(11-9-16)21-6-1-2-7-22(21)29/h1-15,29H
InChIKeyMYRCZWSKCMXSPK-UHFFFAOYSA-N
MW391.39 g/mol
LogP6.81
Rot. Bonds3

About 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol

2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol (PubChem CID 174768206) has the molecular formula C24H16F3NO and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol.

Molecular Properties

Compound Name2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol
PubChem CID174768206
Molecular FormulaC24H16F3NO
Molecular Weight391.39 g/mol
Exact Mass391.12
IUPAC Name2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(-c2cccc(-c3ccc(C(F)(F)F)nc3)c2)cc1
InChIInChI=1S/C24H16F3NO/c25-24(26,27)23-13-12-20(15-28-23)19-5-3-4-18(14-19)16-8-10-17(11-9-16)21-6-1-2-7-22(21)29/h1-15,29H
InChIKeyMYRCZWSKCMXSPK-UHFFFAOYSA-N
XLogP6.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol?
The IUPAC name of 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol (CID 174768206) is 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol.
What is the SMILES notation for 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol?
The canonical SMILES for 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol is Oc1ccccc1-c1ccc(-c2cccc(-c3ccc(C(F)(F)F)nc3)c2)cc1.
What is the InChIKey of 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol?
The InChIKey is MYRCZWSKCMXSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO/c25-24(26,27)23-13-12-20(15-28-23)19-5-3-4-18(14-19)16-8-10-17(11-9-16)21-6-1-2-7-22(21)29/h1-15,29H.
What are the key properties of 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol?
2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol has a molecular weight of 391.39 g/mol, XLogP of 6.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]phenyl]phenol is sourced from PubChem (CID 174768206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).