3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one

C18H21NO2 — CID 105124335

IUPAC3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one
SMILESCCCOc1cncc(C(=O)CCc2ccc(C)cc2)c1
InChIInChI=1S/C18H21NO2/c1-3-10-21-17-11-16(12-19-13-17)18(20)9-8-15-6-4-14(2)5-7-15/h4-7,11-13H,3,8-10H2,1-2H3
InChIKeyLRNSVOIGSIYTPF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.99
Rot. Bonds7

About 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one

3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one (PubChem CID 105124335) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one
PubChem CID105124335
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one
SMILESCCCOc1cncc(C(=O)CCc2ccc(C)cc2)c1
InChIInChI=1S/C18H21NO2/c1-3-10-21-17-11-16(12-19-13-17)18(20)9-8-15-6-4-14(2)5-7-15/h4-7,11-13H,3,8-10H2,1-2H3
InChIKeyLRNSVOIGSIYTPF-UHFFFAOYSA-N
XLogP3.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
CID 82185385
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116591204
1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one
CID 115373880

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one (CID 105124335) is 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one is CCCOc1cncc(C(=O)CCc2ccc(C)cc2)c1.
What is the InChIKey of 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one?
The InChIKey is LRNSVOIGSIYTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-10-21-17-11-16(12-19-13-17)18(20)9-8-15-6-4-14(2)5-7-15/h4-7,11-13H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one?
3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 105124335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).