2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine

C23H22N4O — CID 176626168

IUPAC2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cc(-n4nccn4)ccn3)cc2)cc1
InChIInChI=1S/C23H22N4O/c1-17-4-6-18(7-5-17)23(2,3)19-8-10-21(11-9-19)28-22-16-20(12-13-24-22)27-25-14-15-26-27/h4-16H,1-3H3
InChIKeyDMSXJNMVSCVFQU-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.09
Rot. Bonds5

About 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine

2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine (PubChem CID 176626168) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine
PubChem CID176626168
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cc(-n4nccn4)ccn3)cc2)cc1
InChIInChI=1S/C23H22N4O/c1-17-4-6-18(7-5-17)23(2,3)19-8-10-21(11-9-19)28-22-16-20(12-13-24-22)27-25-14-15-26-27/h4-16H,1-3H3
InChIKeyDMSXJNMVSCVFQU-UHFFFAOYSA-N
XLogP5.09
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
CID 176626174
3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine
CID 176625728
4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
CID 176626406
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine
CID 176626365
1-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]ethanone
CID 176625530
5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole
CID 176625695
2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine
CID 176625736
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
CID 176626367
2-(4-methylphenyl)-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]isoindole-1,3-dione
CID 58078325
4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzenethiol
CID 142069246
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine?
The IUPAC name of 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine (CID 176626168) is 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine.
What is the SMILES notation for 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine?
The canonical SMILES for 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine is Cc1ccc(C(C)(C)c2ccc(Oc3cc(-n4nccn4)ccn3)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine?
The InChIKey is DMSXJNMVSCVFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17-4-6-18(7-5-17)23(2,3)19-8-10-21(11-9-19)28-22-16-20(12-13-24-22)27-25-14-15-26-27/h4-16H,1-3H3.
What are the key properties of 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine?
2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine has a molecular weight of 370.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine is sourced from PubChem (CID 176626168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).