4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

C15H12F3N3O2 — CID 22034034

IUPAC4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESOCCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)10-2-3-11-12(8-10)20-21(19-11)13-7-9(5-6-22)1-4-14(13)23/h1-4,7-8,22-23H,5-6H2
InChIKeyYBGAHDSWZZNBNR-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.68
Rot. Bonds3

About 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol

4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (PubChem CID 22034034) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
PubChem CID22034034
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol
SMILESOCCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)10-2-3-11-12(8-10)20-21(19-11)13-7-9(5-6-22)1-4-14(13)23/h1-4,7-8,22-23H,5-6H2
InChIKeyYBGAHDSWZZNBNR-UHFFFAOYSA-N
XLogP2.68
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol (CID 22034034) is 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is OCCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1.
What is the InChIKey of 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
The InChIKey is YBGAHDSWZZNBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)10-2-3-11-12(8-10)20-21(19-11)13-7-9(5-6-22)1-4-14(13)23/h1-4,7-8,22-23H,5-6H2.
What are the key properties of 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol?
4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol has a molecular weight of 323.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-[5-(trifluoromethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 22034034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).