5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol

C17H15ClFN3O2 — CID 118617151

IUPAC5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol
SMILESCC(O)(Cc1cn(-c2ccc(Cl)cc2O)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFN3O2/c1-17(24,11-2-5-13(19)6-3-11)9-14-10-22(21-20-14)15-7-4-12(18)8-16(15)23/h2-8,10,23-24H,9H2,1H3
InChIKeyZDDHGGCTAZUXSL-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.22
Rot. Bonds4

About 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol

5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol (PubChem CID 118617151) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol
PubChem CID118617151
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol
SMILESCC(O)(Cc1cn(-c2ccc(Cl)cc2O)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFN3O2/c1-17(24,11-2-5-13(19)6-3-11)9-14-10-22(21-20-14)15-7-4-12(18)8-16(15)23/h2-8,10,23-24H,9H2,1H3
InChIKeyZDDHGGCTAZUXSL-UHFFFAOYSA-N
XLogP3.22
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol?
The IUPAC name of 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol (CID 118617151) is 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol.
What is the SMILES notation for 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol?
The canonical SMILES for 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol is CC(O)(Cc1cn(-c2ccc(Cl)cc2O)nn1)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol?
The InChIKey is ZDDHGGCTAZUXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-17(24,11-2-5-13(19)6-3-11)9-14-10-22(21-20-14)15-7-4-12(18)8-16(15)23/h2-8,10,23-24H,9H2,1H3.
What are the key properties of 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol?
5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol has a molecular weight of 347.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[2-(4-fluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol is sourced from PubChem (CID 118617151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).