4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one

C20H16F3NO3 — CID 22050640

IUPAC4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO3/c21-20(22,23)27-17-8-6-15(7-9-17)13-24-11-10-18(12-19(24)25)26-14-16-4-2-1-3-5-16/h1-12H,13-14H2
InChIKeyOOTRWUCWETZUQQ-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.37
Rot. Bonds6

About 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one

4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one (PubChem CID 22050640) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
PubChem CID22050640
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Name4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO3/c21-20(22,23)27-17-8-6-15(7-9-17)13-24-11-10-18(12-19(24)25)26-14-16-4-2-1-3-5-16/h1-12H,13-14H2
InChIKeyOOTRWUCWETZUQQ-UHFFFAOYSA-N
XLogP4.37
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 115614090
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
6-phenylmethoxy-3-[4-(trifluoromethoxy)phenyl]-2H-phthalazine-1,4-dione
CID 138585684
1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one
CID 141168771
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one
CID 116624187
2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(4-phenylmethoxyphenyl)methyl]pyridin-4-one
CID 134565285
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-ethylpyridin-2-one
CID 67966666
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
4-(chloromethyl)-7-[[4-(trifluoromethoxy)phenyl]methoxy]chromen-2-one
CID 51356823

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one?
The IUPAC name of 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one (CID 22050640) is 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one is O=c1cc(OCc2ccccc2)ccn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one?
The InChIKey is OOTRWUCWETZUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3/c21-20(22,23)27-17-8-6-15(7-9-17)13-24-11-10-18(12-19(24)25)26-14-16-4-2-1-3-5-16/h1-12H,13-14H2.
What are the key properties of 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one?
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one has a molecular weight of 375.35 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 22050640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).