2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine

C23H22F3NO — CID 101453265

IUPAC2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1nc(C(F)(F)F)cc(-c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C23H22F3NO/c1-22(2,3)21-20(28-15-16-10-6-4-7-11-16)18(17-12-8-5-9-13-17)14-19(27-21)23(24,25)26/h4-14H,15H2,1-3H3
InChIKeyIJXYMZOBTIQBFN-UHFFFAOYSA-N
MW385.43 g/mol
LogP6.64
Rot. Bonds4

About 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine

2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine (PubChem CID 101453265) has the molecular formula C23H22F3NO and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine
PubChem CID101453265
Molecular FormulaC23H22F3NO
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1nc(C(F)(F)F)cc(-c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C23H22F3NO/c1-22(2,3)21-20(28-15-16-10-6-4-7-11-16)18(17-12-8-5-9-13-17)14-19(27-21)23(24,25)26/h4-14H,15H2,1-3H3
InChIKeyIJXYMZOBTIQBFN-UHFFFAOYSA-N
XLogP6.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Bis(phenoxymethyl)pyridine
CID 607867
3-(Benzyloxy)-2-methylquinoline
CID 3841340
2-[[4-(4-Fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine
CID 24799711
2-Methoxy-3-methyl-4,6-diphenylpyridine
CID 141482524
3-[(4-Fluorophenyl)methoxy]-2-methylquinoline
CID 3787931
3-[(3-Methoxyphenyl)methoxy]-2-methylquinoline
CID 3833793
3-Benzyloxy-2-ethyl-6-methyl-pyridin-4-ylamine
CID 6603362
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpyridine
CID 44391710
1-Methyl-2,6-bis[(4-methylphenoxy)methyl]pyridin-1-ium
CID 71605712
1-[6-[4-[4-(Trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943251
(1S)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943275
(1R)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943276

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine (CID 101453265) is 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine is CC(C)(C)c1nc(C(F)(F)F)cc(-c2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine?
The InChIKey is IJXYMZOBTIQBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO/c1-22(2,3)21-20(28-15-16-10-6-4-7-11-16)18(17-12-8-5-9-13-17)14-19(27-21)23(24,25)26/h4-14H,15H2,1-3H3.
What are the key properties of 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine?
2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine has a molecular weight of 385.43 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-phenyl-3-phenylmethoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 101453265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).