2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one

C16H16F3NO3 — CID 67283015

IUPAC2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one
SMILESCOC(c1c[nH]c(C)c(OCc2ccccc2)c1=O)C(F)(F)F
InChIInChI=1S/C16H16F3NO3/c1-10-14(23-9-11-6-4-3-5-7-11)13(21)12(8-20-10)15(22-2)16(17,18)19/h3-8,15H,9H2,1-2H3,(H,20,21)
InChIKeyPDZRTUZMWKRVHX-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.51
Rot. Bonds5

About 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one

2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one (PubChem CID 67283015) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one
PubChem CID67283015
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC Name2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one
SMILESCOC(c1c[nH]c(C)c(OCc2ccccc2)c1=O)C(F)(F)F
InChIInChI=1S/C16H16F3NO3/c1-10-14(23-9-11-6-4-3-5-7-11)13(21)12(8-20-10)15(22-2)16(17,18)19/h3-8,15H,9H2,1-2H3,(H,20,21)
InChIKeyPDZRTUZMWKRVHX-UHFFFAOYSA-N
XLogP3.51
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one (CID 67283015) is 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one is COC(c1c[nH]c(C)c(OCc2ccccc2)c1=O)C(F)(F)F.
What is the InChIKey of 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one?
The InChIKey is PDZRTUZMWKRVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3/c1-10-14(23-9-11-6-4-3-5-7-11)13(21)12(8-20-10)15(22-2)16(17,18)19/h3-8,15H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one?
2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one has a molecular weight of 327.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoro-1-methoxyethyl)-1H-pyridin-4-one is sourced from PubChem (CID 67283015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).