3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one

C19H23NO2 — CID 82185385

IUPAC3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
SMILESCCCCCOc1ccc(CCC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H23NO2/c1-2-3-4-14-22-18-10-7-16(8-11-18)9-12-19(21)17-6-5-13-20-15-17/h5-8,10-11,13,15H,2-4,9,12,14H2,1H3
InChIKeyHASFQZMNHUDEPU-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.47
Rot. Bonds9

About 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one

3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one (PubChem CID 82185385) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
PubChem CID82185385
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
SMILESCCCCCOc1ccc(CCC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H23NO2/c1-2-3-4-14-22-18-10-7-16(8-11-18)9-12-19(21)17-6-5-13-20-15-17/h5-8,10-11,13,15H,2-4,9,12,14H2,1H3
InChIKeyHASFQZMNHUDEPU-UHFFFAOYSA-N
XLogP4.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-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-pyridin-3-ylundecan-1-one
CID 19756112
1-pyridin-3-ylpentan-1-one
CID 12648543
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
3-(4-butoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185267
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
[4-[(4-decoxyphenyl)diazenyl]phenyl] pyridine-3-carboxylate
CID 101147347
5-ethoxy-1-pyridin-3-ylpentan-1-one
CID 121009142
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
3-oxo-N-(4-pentoxyphenyl)-5-pyridin-3-ylpentanethioamide
CID 58597342
heptyl pyridine-3-carboxylate
CID 531638
methyl 3-(4-heptoxyphenyl)propanoate
CID 82646253

Frequently Asked Questions

What is the IUPAC name of 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one?
The IUPAC name of 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one (CID 82185385) is 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one?
The canonical SMILES for 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one is CCCCCOc1ccc(CCC(=O)c2cccnc2)cc1.
What is the InChIKey of 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one?
The InChIKey is HASFQZMNHUDEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-3-4-14-22-18-10-7-16(8-11-18)9-12-19(21)17-6-5-13-20-15-17/h5-8,10-11,13,15H,2-4,9,12,14H2,1H3.
What are the key properties of 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one?
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one has a molecular weight of 297.40 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 82185385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).