(E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol

C18H14F3N3O — CID 155664397

IUPAC(E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC(/C(=C\c1ccc(C(F)(F)F)cc1)n1cncn1)c1ccccc1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-8-6-13(7-9-15)10-16(24-12-22-11-23-24)17(25)14-4-2-1-3-5-14/h1-12,17,25H/b16-10+
InChIKeyYTRZIGHLUAGZLF-MHWRWJLKSA-N
MW345.32 g/mol
LogP4.03
Rot. Bonds4

About (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol

(E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 155664397) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID155664397
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name(E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC(/C(=C\c1ccc(C(F)(F)F)cc1)n1cncn1)c1ccccc1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-8-6-13(7-9-15)10-16(24-12-22-11-23-24)17(25)14-4-2-1-3-5-14/h1-12,17,25H/b16-10+
InChIKeyYTRZIGHLUAGZLF-MHWRWJLKSA-N
XLogP4.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 155664397) is (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is OC(/C(=C\c1ccc(C(F)(F)F)cc1)n1cncn1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is YTRZIGHLUAGZLF-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)15-8-6-13(7-9-15)10-16(24-12-22-11-23-24)17(25)14-4-2-1-3-5-14/h1-12,17,25H/b16-10+.
What are the key properties of (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
(E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 345.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-2-(1,2,4-triazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 155664397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).