6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one

C25H28FNO4 — CID 169250879

IUPAC6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
SMILESCOc1cc(F)ccc1Oc1cc(C(C)(C)C)cc(C)c1-c1cc(=O)c(CO)c(C)[nH]1
InChIInChI=1S/C25H28FNO4/c1-14-9-16(25(3,4)5)10-23(31-21-8-7-17(26)11-22(21)30-6)24(14)19-12-20(29)18(13-28)15(2)27-19/h7-12,28H,13H2,1-6H3,(H,27,29)
InChIKeyYGJZLSNPMPEZJX-UHFFFAOYSA-N
MW425.50 g/mol
LogP5.39
Rot. Bonds5

About 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one

6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one (PubChem CID 169250879) has the molecular formula C25H28FNO4 and a molecular weight of 425.50 g/mol. Its IUPAC name is 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
PubChem CID169250879
Molecular FormulaC25H28FNO4
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one
SMILESCOc1cc(F)ccc1Oc1cc(C(C)(C)C)cc(C)c1-c1cc(=O)c(CO)c(C)[nH]1
InChIInChI=1S/C25H28FNO4/c1-14-9-16(25(3,4)5)10-23(31-21-8-7-17(26)11-22(21)30-6)24(14)19-12-20(29)18(13-28)15(2)27-19/h7-12,28H,13H2,1-6H3,(H,27,29)
InChIKeyYGJZLSNPMPEZJX-UHFFFAOYSA-N
XLogP5.39
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-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

Related Compounds

[2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol
CID 43313481
2-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-4-phenylmethoxy-1,6-naphthyridin-6-ium
CID 169249107
2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
CID 102989965
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
CID 107284920
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 105426244
2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571
[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 102989934
2-(4-tert-butyl-2-methylphenoxy)-4-fluoroaniline
CID 63457104
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589

Frequently Asked Questions

What is the IUPAC name of 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one (CID 169250879) is 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one is COc1cc(F)ccc1Oc1cc(C(C)(C)C)cc(C)c1-c1cc(=O)c(CO)c(C)[nH]1.
What is the InChIKey of 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is YGJZLSNPMPEZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO4/c1-14-9-16(25(3,4)5)10-23(31-21-8-7-17(26)11-22(21)30-6)24(14)19-12-20(29)18(13-28)15(2)27-19/h7-12,28H,13H2,1-6H3,(H,27,29).
What are the key properties of 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one?
6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 425.50 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-tert-butyl-2-(4-fluoro-2-methoxyphenoxy)-6-methylphenyl]-3-(hydroxymethyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 169250879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).