1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one

C22H20F3NO5 — CID 89466875

IUPAC1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one
SMILESCOc1cc(OC)c(-n2cc(O)c(=O)cc2C(C)O)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C22H20F3NO5/c1-12(27)16-9-18(28)19(29)11-26(16)17-8-14(20(30-2)10-21(17)31-3)13-6-4-5-7-15(13)22(23,24)25/h4-12,27,29H,1-3H3
InChIKeyDBLFKPCDQXVCSX-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.30
Rot. Bonds5

About 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one

1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one (PubChem CID 89466875) has the molecular formula C22H20F3NO5 and a molecular weight of 435.40 g/mol. Its IUPAC name is 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one
PubChem CID89466875
Molecular FormulaC22H20F3NO5
Molecular Weight435.40 g/mol
Exact Mass435.13
IUPAC Name1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one
SMILESCOc1cc(OC)c(-n2cc(O)c(=O)cc2C(C)O)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C22H20F3NO5/c1-12(27)16-9-18(28)19(29)11-26(16)17-8-14(20(30-2)10-21(17)31-3)13-6-4-5-7-15(13)22(23,24)25/h4-12,27,29H,1-3H3
InChIKeyDBLFKPCDQXVCSX-UHFFFAOYSA-N
XLogP4.30
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one 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 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one (CID 89466875) is 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one is COc1cc(OC)c(-n2cc(O)c(=O)cc2C(C)O)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one?
The InChIKey is DBLFKPCDQXVCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO5/c1-12(27)16-9-18(28)19(29)11-26(16)17-8-14(20(30-2)10-21(17)31-3)13-6-4-5-7-15(13)22(23,24)25/h4-12,27,29H,1-3H3.
What are the key properties of 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one?
1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one has a molecular weight of 435.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-5-hydroxy-2-(1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 89466875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).