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

C17H14ClF2N3O2 — CID 118608260

IUPAC5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol
SMILESCC(O)(Cc1cn(-c2ccc(Cl)cc2O)nn1)c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3O2/c1-17(25,13-4-3-11(19)7-14(13)20)8-12-9-23(22-21-12)15-5-2-10(18)6-16(15)24/h2-7,9,24-25H,8H2,1H3
InChIKeyODYQRKJCIHJEKG-UHFFFAOYSA-N
MW365.77 g/mol
LogP3.35
Rot. Bonds4

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

5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol (PubChem CID 118608260) has the molecular formula C17H14ClF2N3O2 and a molecular weight of 365.77 g/mol. Its IUPAC name is 5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol
PubChem CID118608260
Molecular FormulaC17H14ClF2N3O2
Molecular Weight365.77 g/mol
Exact Mass365.07
IUPAC Name5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol
SMILESCC(O)(Cc1cn(-c2ccc(Cl)cc2O)nn1)c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3O2/c1-17(25,13-4-3-11(19)7-14(13)20)8-12-9-23(22-21-12)15-5-2-10(18)6-16(15)24/h2-7,9,24-25H,8H2,1H3
InChIKeyODYQRKJCIHJEKG-UHFFFAOYSA-N
XLogP3.35
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 53.35
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-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol?
The IUPAC name of 5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol (CID 118608260) is 5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol.
What is the SMILES notation for 5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol?
The canonical SMILES for 5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol is CC(O)(Cc1cn(-c2ccc(Cl)cc2O)nn1)c1ccc(F)cc1F.
What is the InChIKey of 5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol?
The InChIKey is ODYQRKJCIHJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O2/c1-17(25,13-4-3-11(19)7-14(13)20)8-12-9-23(22-21-12)15-5-2-10(18)6-16(15)24/h2-7,9,24-25H,8H2,1H3.
What are the key properties of 5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol?
5-chloro-2-[4-[2-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol has a molecular weight of 365.77 g/mol, XLogP of 3.35, 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-(2,4-difluorophenyl)-2-hydroxypropyl]triazol-1-yl]phenol is sourced from PubChem (CID 118608260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).