4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol

C17H14FN3O2 — CID 94935692

IUPAC4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol
SMILESOCc1nnn(-c2ccc(O)cc2)c1/C=C/c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2/c18-13-4-1-12(2-5-13)3-10-17-16(11-22)19-20-21(17)14-6-8-15(23)9-7-14/h1-10,22-23H,11H2/b10-3+
InChIKeyZAGSWSBLIXWAOA-XCVCLJGOSA-N
MW311.32 g/mol
LogP2.77
Rot. Bonds4

About 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol

4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol (PubChem CID 94935692) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol
PubChem CID94935692
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol
SMILESOCc1nnn(-c2ccc(O)cc2)c1/C=C/c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O2/c18-13-4-1-12(2-5-13)3-10-17-16(11-22)19-20-21(17)14-6-8-15(23)9-7-14/h1-10,22-23H,11H2/b10-3+
InChIKeyZAGSWSBLIXWAOA-XCVCLJGOSA-N
XLogP2.77
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile
CID 94935693
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol
CID 82207834
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-hexyltriazol-4-yl]methanol
CID 82206066
[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine
CID 82199235
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
CID 82196737
[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 94962651
4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194898
4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194910
[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 19914668
(E)-3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]prop-2-en-1-one
CID 139051727
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-prop-2-enyltriazol-4-yl]methanamine
CID 82204774

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol?
The IUPAC name of 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol (CID 94935692) is 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol is OCc1nnn(-c2ccc(O)cc2)c1/C=C/c1ccc(F)cc1.
What is the InChIKey of 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol?
The InChIKey is ZAGSWSBLIXWAOA-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-13-4-1-12(2-5-13)3-10-17-16(11-22)19-20-21(17)14-6-8-15(23)9-7-14/h1-10,22-23H,11H2/b10-3+.
What are the key properties of 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol?
4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol has a molecular weight of 311.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol is sourced from PubChem (CID 94935692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).