2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one

C27H24F3NO4 — CID 69081417

IUPAC2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one
SMILESCOc1cccc(OCc2ccccc2)c1C1CC=CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H24F3NO4/c1-33-23-10-6-11-24(34-18-20-7-3-2-4-8-20)26(23)22-9-5-12-25(32)31(22)17-19-13-15-21(16-14-19)35-27(28,29)30/h2-8,10-16,22H,9,17-18H2,1H3
InChIKeyXSCYQMMMXBAQEU-UHFFFAOYSA-N
MW483.49 g/mol
LogP6.20
Rot. Bonds8

About 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one

2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one (PubChem CID 69081417) has the molecular formula C27H24F3NO4 and a molecular weight of 483.49 g/mol. Its IUPAC name is 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one
PubChem CID69081417
Molecular FormulaC27H24F3NO4
Molecular Weight483.49 g/mol
Exact Mass483.17
IUPAC Name2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one
SMILESCOc1cccc(OCc2ccccc2)c1C1CC=CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H24F3NO4/c1-33-23-10-6-11-24(34-18-20-7-3-2-4-8-20)26(23)22-9-5-12-25(32)31(22)17-19-13-15-21(16-14-19)35-27(28,29)30/h2-8,10-16,22H,9,17-18H2,1H3
InChIKeyXSCYQMMMXBAQEU-UHFFFAOYSA-N
XLogP6.20
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-3-amino-5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 118731951
(3R,5S)-5-(2,6-dimethoxyphenyl)-3-methoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69082545
6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione
CID 69080200
6-[2-(3-hydroxypropoxy)-6-methoxyphenyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69080237
(3S,5S)-3-fluoro-5-(2-fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080086
(3S,5S)-3-chloro-5-(2-fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69082773
5-(2-chloro-6-methoxyphenyl)-3-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69083631
6-(2-fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69083745
2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 87151052
6-(2-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69082267
7-(2,6-dimethoxyphenyl)azepan-2-one;7-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]azepan-2-one
CID 159103196
tert-butyl 3-(2,6-dimethoxyphenyl)-5-oxo-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
CID 69095725

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one (CID 69081417) is 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one is COc1cccc(OCc2ccccc2)c1C1CC=CC(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one?
The InChIKey is XSCYQMMMXBAQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3NO4/c1-33-23-10-6-11-24(34-18-20-7-3-2-4-8-20)26(23)22-9-5-12-25(32)31(22)17-19-13-15-21(16-14-19)35-27(28,29)30/h2-8,10-16,22H,9,17-18H2,1H3.
What are the key properties of 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one?
2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one has a molecular weight of 483.49 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-phenylmethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 69081417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).