2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone

C23H19F3O4 — CID 121433264

IUPAC2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C23H19F3O4/c24-23(25,26)30-20-8-4-7-19(15-20)29-14-13-16-9-11-18(12-10-16)22(28)21(27)17-5-2-1-3-6-17/h1-12,15,22,28H,13-14H2
InChIKeyPOLTZPYXAYBQNP-UHFFFAOYSA-N
MW416.40 g/mol
LogP5.12
Rot. Bonds8

About 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone

2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone (PubChem CID 121433264) has the molecular formula C23H19F3O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone
PubChem CID121433264
Molecular FormulaC23H19F3O4
Molecular Weight416.40 g/mol
Exact Mass416.12
IUPAC Name2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C23H19F3O4/c24-23(25,26)30-20-8-4-7-19(15-20)29-14-13-16-9-11-18(12-10-16)22(28)21(27)17-5-2-1-3-6-17/h1-12,15,22,28H,13-14H2
InChIKeyPOLTZPYXAYBQNP-UHFFFAOYSA-N
XLogP5.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone 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 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone (CID 121433264) is 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone is O=C(c1ccccc1)C(O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone?
The InChIKey is POLTZPYXAYBQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3O4/c24-23(25,26)30-20-8-4-7-19(15-20)29-14-13-16-9-11-18(12-10-16)22(28)21(27)17-5-2-1-3-6-17/h1-12,15,22,28H,13-14H2.
What are the key properties of 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone?
2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone has a molecular weight of 416.40 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-phenyl-2-[4-[2-[3-(trifluoromethoxy)phenoxy]ethyl]phenyl]ethanone is sourced from PubChem (CID 121433264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).