(4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

C22H20F3NO — CID 56665872

IUPAC(4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H20F3NO/c1-15(2)16-5-7-17(8-6-16)21(27,20-4-3-13-26-14-20)18-9-11-19(12-10-18)22(23,24)25/h3-15,27H,1-2H3
InChIKeyLJFSAINKEOJJGO-UHFFFAOYSA-N
MW371.40 g/mol
LogP5.51
Rot. Bonds4

About (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

(4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 56665872) has the molecular formula C22H20F3NO and a molecular weight of 371.40 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID56665872
Molecular FormulaC22H20F3NO
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name(4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1
InChIInChI=1S/C22H20F3NO/c1-15(2)16-5-7-17(8-6-16)21(27,20-4-3-13-26-14-20)18-9-11-19(12-10-18)22(23,24)25/h3-15,27H,1-2H3
InChIKeyLJFSAINKEOJJGO-UHFFFAOYSA-N
XLogP5.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (CID 56665872) is (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is CC(C)c1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is LJFSAINKEOJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO/c1-15(2)16-5-7-17(8-6-16)21(27,20-4-3-13-26-14-20)18-9-11-19(12-10-18)22(23,24)25/h3-15,27H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
(4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 371.40 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 56665872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).