1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one

C21H21NO2 — CID 90305002

IUPAC1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one
SMILESCOc1ccc(CCn2ccccc2=O)cc1-c1cccc(C)c1
InChIInChI=1S/C21H21NO2/c1-16-6-5-7-18(14-16)19-15-17(9-10-20(19)24-2)11-13-22-12-4-3-8-21(22)23/h3-10,12,14-15H,11,13H2,1-2H3
InChIKeyWZVMYMZUPJIILK-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.08
Rot. Bonds5

About 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one

1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one (PubChem CID 90305002) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one
PubChem CID90305002
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one
SMILESCOc1ccc(CCn2ccccc2=O)cc1-c1cccc(C)c1
InChIInChI=1S/C21H21NO2/c1-16-6-5-7-18(14-16)19-15-17(9-10-20(19)24-2)11-13-22-12-4-3-8-21(22)23/h3-10,12,14-15H,11,13H2,1-2H3
InChIKeyWZVMYMZUPJIILK-UHFFFAOYSA-N
XLogP4.08
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 90305017
1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
CID 118907167
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 82897340
1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 78917301
9-(4-hydroxy-3-methoxyphenyl)-3-[2-(2-oxo-1-pyridinyl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 69220205
1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
CID 43111801
4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
CID 82541048
acetic acid;1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-2-one;(3-chlorophenyl)boronic acid;1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridin-2-one;methane;palladium
CID 158718932
2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82120363
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one (CID 90305002) is 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one is COc1ccc(CCn2ccccc2=O)cc1-c1cccc(C)c1.
What is the InChIKey of 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one?
The InChIKey is WZVMYMZUPJIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-16-6-5-7-18(14-16)19-15-17(9-10-20(19)24-2)11-13-22-12-4-3-8-21(22)23/h3-10,12,14-15H,11,13H2,1-2H3.
What are the key properties of 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one?
1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one has a molecular weight of 319.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methoxy-3-(3-methylphenyl)phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 90305002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).