4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol

C16H11ClF3N3O2 — CID 44621745

IUPAC4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol
SMILESOCc1c(-c2ccc(O)cc2)nnn1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H11ClF3N3O2/c17-12-7-10(16(18,19)20)3-6-13(12)23-14(8-24)15(21-22-23)9-1-4-11(25)5-2-9/h1-7,24-25H,8H2
InChIKeyLRCDREMYGXDZGV-UHFFFAOYSA-N
MW369.73 g/mol
LogP3.80
Rot. Bonds3

About 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol

4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol (PubChem CID 44621745) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol
PubChem CID44621745
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC Name4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol
SMILESOCc1c(-c2ccc(O)cc2)nnn1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H11ClF3N3O2/c17-12-7-10(16(18,19)20)3-6-13(12)23-14(8-24)15(21-22-23)9-1-4-11(25)5-2-9/h1-7,24-25H,8H2
InChIKeyLRCDREMYGXDZGV-UHFFFAOYSA-N
XLogP3.80
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol 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

1-(2-Chloro-4-trifluoromethyl-phenyl)-4-(4-methoxy-phenyl)-5-methyl-1H-[1,2,3]triazole
CID 44816584
4-[1-[2-Chloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]phenol
CID 44816585
5-Bromomethyl-1-(2-chloro-4-trifluoromethyl-phenyl)-4-(4-methoxy-phenyl)-1H-[1,2,3]triazole
CID 44816586
C-[3-(2-Chloro-4-trifluoromethyl-phenyl)-5-(4-methoxy-phenyl)-3H-[1,2,3]triazol-4-yl]-methylamine
CID 44816754
4-[5-(Aminomethyl)-1-[2-chloro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenol
CID 44816755
[3-(2-Chloro-4-trifluoromethyl-phenyl)-5-(4-methoxy-phenyl)-3H-[1,2,3]triazol-4-yl]-methanol
CID 44816756
3-Chloro-4-[5-chloro-1-[2-fluoro-4-(trifluoromethyl)phenyl]triazol-4-yl]phenol
CID 44816760
4-[5-Amino-1-(2-chloro-4-trifluoromethyl-phenyl)-1H-[1,2,3]triazol-4-yl]-phenol
CID 135949498
4-(1-(2-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)phenol
CID 136081961
{5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56769377
{5-(3-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56769396
{5-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56769397

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol?
The IUPAC name of 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol (CID 44621745) is 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol.
What is the SMILES notation for 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol?
The canonical SMILES for 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol is OCc1c(-c2ccc(O)cc2)nnn1-c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol?
The InChIKey is LRCDREMYGXDZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c17-12-7-10(16(18,19)20)3-6-13(12)23-14(8-24)15(21-22-23)9-1-4-11(25)5-2-9/h1-7,24-25H,8H2.
What are the key properties of 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol?
4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol has a molecular weight of 369.73 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(hydroxymethyl)triazol-4-yl]phenol is sourced from PubChem (CID 44621745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).