1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one

C22H23NO2 — CID 91337677

IUPAC1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
SMILESCCc1ccc(CCn2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C22H23NO2/c1-2-18-8-10-19(11-9-18)12-14-23-15-13-21(16-22(23)24)25-17-20-6-4-3-5-7-20/h3-11,13,15-16H,2,12,14,17H2,1H3
InChIKeyYPIIXKWYFDKJGE-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.23
Rot. Bonds7

About 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one

1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 91337677) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
PubChem CID91337677
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
SMILESCCc1ccc(CCn2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C22H23NO2/c1-2-18-8-10-19(11-9-18)12-14-23-15-13-21(16-22(23)24)25-17-20-6-4-3-5-7-20/h3-11,13,15-16H,2,12,14,17H2,1H3
InChIKeyYPIIXKWYFDKJGE-UHFFFAOYSA-N
XLogP4.23
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
CID 58042745
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640
1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one
CID 67007472
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143850273
1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-one
CID 67006941
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042869
1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one
CID 141168771
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
CID 58042761
1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridazin-3-ylmethoxy)pyridin-2-one
CID 67006586
N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 58042759

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one (CID 91337677) is 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one is CCc1ccc(CCn2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is YPIIXKWYFDKJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-2-18-8-10-19(11-9-18)12-14-23-15-13-21(16-22(23)24)25-17-20-6-4-3-5-7-20/h3-11,13,15-16H,2,12,14,17H2,1H3.
What are the key properties of 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one?
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 91337677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).