2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol

C17H15ClFN3O2 — CID 118608269

IUPAC2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol
SMILESCC(O)(Cc1cn(-c2ccc(F)cc2O)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3O2/c1-17(24,11-2-4-12(18)5-3-11)9-14-10-22(21-20-14)15-7-6-13(19)8-16(15)23/h2-8,10,23-24H,9H2,1H3
InChIKeyXUPFKPDMQZTCHF-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.22
Rot. Bonds4

About 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol

2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol (PubChem CID 118608269) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol
PubChem CID118608269
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol
SMILESCC(O)(Cc1cn(-c2ccc(F)cc2O)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3O2/c1-17(24,11-2-4-12(18)5-3-11)9-14-10-22(21-20-14)15-7-6-13(19)8-16(15)23/h2-8,10,23-24H,9H2,1H3
InChIKeyXUPFKPDMQZTCHF-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

Analyze 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11818496
CID 11818496
CID 170905349
CID 170905349
CID 170905364
CID 170905364
CID 70903713
CID 70903713
CID 86296878
CID 86296878
CID 118608259
CID 118608259
CID 118608260
CID 118608260
CID 118608270
CID 118608270
CID 118608273
CID 118608273
CID 118608275
CID 118608275
CID 118608283
CID 118608283
CID 118616426
CID 118616426

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol (CID 118608269) is 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol is CC(O)(Cc1cn(-c2ccc(F)cc2O)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol?
The InChIKey is XUPFKPDMQZTCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-17(24,11-2-4-12(18)5-3-11)9-14-10-22(21-20-14)15-7-6-13(19)8-16(15)23/h2-8,10,23-24H,9H2,1H3.
What are the key properties of 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol?
2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol 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 2-[4-[2-(4-chlorophenyl)-2-hydroxypropyl]triazol-1-yl]-5-fluorophenol is sourced from PubChem (CID 118608269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).