3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one

C16H17NO2 — CID 82185276

IUPAC3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one
SMILESCCOc1cccc(CCC(=O)c2ccccn2)c1
InChIInChI=1S/C16H17NO2/c1-2-19-14-7-5-6-13(12-14)9-10-16(18)15-8-3-4-11-17-15/h3-8,11-12H,2,9-10H2,1H3
InChIKeyXLFNIWZSJPCRBD-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.30
Rot. Bonds6

About 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one

3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one (PubChem CID 82185276) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one
PubChem CID82185276
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one
SMILESCCOc1cccc(CCC(=O)c2ccccn2)c1
InChIInChI=1S/C16H17NO2/c1-2-19-14-7-5-6-13(12-14)9-10-16(18)15-8-3-4-11-17-15/h3-8,11-12H,2,9-10H2,1H3
InChIKeyXLFNIWZSJPCRBD-UHFFFAOYSA-N
XLogP3.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185238
1-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921510
3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
CID 94265809
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone
CID 69363599
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one (CID 82185276) is 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one is CCOc1cccc(CCC(=O)c2ccccn2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one?
The InChIKey is XLFNIWZSJPCRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-19-14-7-5-6-13(12-14)9-10-16(18)15-8-3-4-11-17-15/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one?
3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one has a molecular weight of 255.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 82185276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).