2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one

C22H23NO2 — CID 164627921

IUPAC2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCc1ccccc1
InChIInChI=1S/C22H23NO2/c1-18-22(25-17-20-11-6-3-7-12-20)21(24)14-16-23(18)15-8-13-19-9-4-2-5-10-19/h2-7,9-12,14,16H,8,13,15,17H2,1H3
InChIKeyVZEKXKZVUBPVCE-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.37
Rot. Bonds7

About 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one

2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one (PubChem CID 164627921) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one
PubChem CID164627921
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCc1ccccc1
InChIInChI=1S/C22H23NO2/c1-18-22(25-17-20-11-6-3-7-12-20)21(24)14-16-23(18)15-8-13-19-9-4-2-5-10-19/h2-7,9-12,14,16H,8,13,15,17H2,1H3
InChIKeyVZEKXKZVUBPVCE-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Benzyloxy)-2-methylpyridin-4(1H)-one
CID 2726416
1-benzyl-3-(benzyloxy)-2-methyl-4(1H)-pyridinone
CID 660782
3-(benzyloxy)-1-(4-chlorobenzyl)-2-methyl-4(1H)-pyridinone
CID 3723411
1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
N-Benzyl-3-benzyloxy-2-pyridone
CID 90335
3-(Benzyloxy)-1,2-dimethylpyridin-4(1H)-one
CID 14956281
2-(Aminomethyl)-3-(benzyloxy)-1,6-dimethyl-1,4-dihydropyridin-4-one
CID 11139785
3-(benzyloxy)-1-(4-fluorobenzyl)-2-methyl-4(1H)-pyridinone
CID 3623031
3-(benzyloxy)-2-methyl-1-(4-methylbenzyl)-4(1H)-pyridinone
CID 3818708
2-Methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one
CID 164615660
1-Ethyl-2-methyl-3-phenylmethoxypyridin-4-one
CID 14956282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one?
The IUPAC name of 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one (CID 164627921) is 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one.
What is the SMILES notation for 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one?
The canonical SMILES for 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1CCCc1ccccc1.
What is the InChIKey of 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one?
The InChIKey is VZEKXKZVUBPVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-18-22(25-17-20-11-6-3-7-12-20)21(24)14-16-23(18)15-8-13-19-9-4-2-5-10-19/h2-7,9-12,14,16H,8,13,15,17H2,1H3.
What are the key properties of 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one?
2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one has a molecular weight of 333.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylmethoxy-1-(3-phenylpropyl)pyridin-4-one is sourced from PubChem (CID 164627921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).