1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole

C19H18F3N3O2 — CID 162357896

IUPAC1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole
SMILESCOc1ccc(COc2ccc(CCn3cnc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C19H18F3N3O2/c1-26-16-6-4-15(5-7-16)12-27-17-8-2-14(3-9-17)10-11-25-13-23-18(24-25)19(20,21)22/h2-9,13H,10-12H2,1H3
InChIKeyCHMXYAWQLMSMBZ-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.13
Rot. Bonds7

About 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole

1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 162357896) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID162357896
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole
SMILESCOc1ccc(COc2ccc(CCn3cnc(C(F)(F)F)n3)cc2)cc1
InChIInChI=1S/C19H18F3N3O2/c1-26-16-6-4-15(5-7-16)12-27-17-8-2-14(3-9-17)10-11-25-13-23-18(24-25)19(20,21)22/h2-9,13H,10-12H2,1H3
InChIKeyCHMXYAWQLMSMBZ-UHFFFAOYSA-N
XLogP4.13
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(+)-(R)-2-(2,4-Difluorophenyl)-1-(3-((E)-4-(2,2,3,3-tetrafluoropropoxy)styryl)-1,2,4-triazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 6442246
1-[3-(4-Phenylphenoxy)propyl]-1,2,4-triazole
CID 2199160
Ici 195739
CID 6436233
2-(2,4-Difluorophenyl)-1-(3-(4-(2,2,3,3-tetrafluoropropoxy)styryl)-1,2,4-triazol-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 53423084
1-[2-(4-Methoxyphenyl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 25961780
1-[3-Phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-1,2,4-triazole
CID 53324497
1-[Cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-1,2,4-triazole
CID 72703278
1-[(E)-4-(4-benzyloxyphenyl)but-3-enyl]-1,2,4-triazole
CID 72703280
1-[2-(2,4-Difluorophenyl)-2-[(4-methoxyphenyl)methylselanyl]ethyl]-1,2,4-triazole
CID 164626659
(2S)-2-(2,4-Difluorophenyl)-1-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1,2,4-triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10098734
1-[4-(4-biphenylyloxy)butyl]-1H-1,2,4-triazole
CID 2948954
(E)-(+)-2-(2,4-Difluorophenyl)-1-{3-[4-(2,2,3,3-tetrafluoropropoxy)styryl]-1H-1,2,4-triazol-1-YL}-3-(1H-1,2,4-triazol-1-YL)propan-2-OL
CID 10030147

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole (CID 162357896) is 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole is COc1ccc(COc2ccc(CCn3cnc(C(F)(F)F)n3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is CHMXYAWQLMSMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-26-16-6-4-15(5-7-16)12-27-17-8-2-14(3-9-17)10-11-25-13-23-18(24-25)19(20,21)22/h2-9,13H,10-12H2,1H3.
What are the key properties of 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole?
1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 377.37 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 162357896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).