3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one

C29H35NO3 — CID 166530024

IUPAC3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
SMILESCCCc1ccc(CCc2[nH]c(OCC3CCCCO3)cc(=O)c2-c2ccccc2C)cc1
InChIInChI=1S/C29H35NO3/c1-3-8-22-12-14-23(15-13-22)16-17-26-29(25-11-5-4-9-21(25)2)27(31)19-28(30-26)33-20-24-10-6-7-18-32-24/h4-5,9,11-15,19,24H,3,6-8,10,16-18,20H2,1-2H3,(H,30,31)
InChIKeyHYUVSIAEUDFLDF-UHFFFAOYSA-N
MW445.60 g/mol
LogP6.04
Rot. Bonds9

About 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one

3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one (PubChem CID 166530024) has the molecular formula C29H35NO3 and a molecular weight of 445.60 g/mol. Its IUPAC name is 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
PubChem CID166530024
Molecular FormulaC29H35NO3
Molecular Weight445.60 g/mol
Exact Mass445.26
IUPAC Name3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
SMILESCCCc1ccc(CCc2[nH]c(OCC3CCCCO3)cc(=O)c2-c2ccccc2C)cc1
InChIInChI=1S/C29H35NO3/c1-3-8-22-12-14-23(15-13-22)16-17-26-29(25-11-5-4-9-21(25)2)27(31)19-28(30-26)33-20-24-10-6-7-18-32-24/h4-5,9,11-15,19,24H,3,6-8,10,16-18,20H2,1-2H3,(H,30,31)
InChIKeyHYUVSIAEUDFLDF-UHFFFAOYSA-N
XLogP6.04
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.60
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one with MolForge

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Related Compounds

3-butyl-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530053
6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one
CID 166529992
3-(1-methylpyrrol-3-yl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166529871
3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530038
methyl 2-[4-[6-[[(2R)-oxan-2-yl]methoxy]-4-oxo-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-3-yl]phenoxy]acetate
CID 166530000
2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one
CID 166530031
3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine
CID 166529965
7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one
CID 166529801
2-[2-(4-ethoxyphenyl)ethynyl]-6-(oxan-2-ylmethoxy)-4-oxo-1H-pyridine-3-carbonitrile
CID 176645116
4-(2-methylphenyl)-7-[[(2R)-oxan-2-yl]methoxy]chromen-2-one
CID 172878954
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
6-(1,4-dioxan-2-ylmethoxy)-3-ethyl-2-[2-[4-(3-methylsulfonylpropoxy)phenyl]ethyl]-1H-pyridin-4-one
CID 166529808

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one?
The IUPAC name of 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one (CID 166530024) is 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one?
The canonical SMILES for 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one is CCCc1ccc(CCc2[nH]c(OCC3CCCCO3)cc(=O)c2-c2ccccc2C)cc1.
What is the InChIKey of 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one?
The InChIKey is HYUVSIAEUDFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3/c1-3-8-22-12-14-23(15-13-22)16-17-26-29(25-11-5-4-9-21(25)2)27(31)19-28(30-26)33-20-24-10-6-7-18-32-24/h4-5,9,11-15,19,24H,3,6-8,10,16-18,20H2,1-2H3,(H,30,31).
What are the key properties of 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one?
3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one has a molecular weight of 445.60 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one is sourced from PubChem (CID 166530024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).