1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone

C18H14F3N3O3 — CID 45480014

IUPAC1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone
SMILESO=C(Cn1cc(COc2ccccc2C(F)(F)F)nn1)c1ccc(O)cc1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)15-3-1-2-4-17(15)27-11-13-9-24(23-22-13)10-16(26)12-5-7-14(25)8-6-12/h1-9,25H,10-11H2
InChIKeySGMFTUPJJNWOJO-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.46
Rot. Bonds6

About 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone

1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone (PubChem CID 45480014) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone
PubChem CID45480014
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone
SMILESO=C(Cn1cc(COc2ccccc2C(F)(F)F)nn1)c1ccc(O)cc1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)15-3-1-2-4-17(15)27-11-13-9-24(23-22-13)10-16(26)12-5-7-14(25)8-6-12/h1-9,25H,10-11H2
InChIKeySGMFTUPJJNWOJO-UHFFFAOYSA-N
XLogP3.46
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone (CID 45480014) is 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone is O=C(Cn1cc(COc2ccccc2C(F)(F)F)nn1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone?
The InChIKey is SGMFTUPJJNWOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)15-3-1-2-4-17(15)27-11-13-9-24(23-22-13)10-16(26)12-5-7-14(25)8-6-12/h1-9,25H,10-11H2.
What are the key properties of 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone?
1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone has a molecular weight of 377.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone is sourced from PubChem (CID 45480014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).