1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one

C16H17NO2 — CID 66469435

IUPAC1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one
SMILESCCOc1ccccc1C(=O)C(C)c1ccncc1
InChIInChI=1S/C16H17NO2/c1-3-19-15-7-5-4-6-14(15)16(18)12(2)13-8-10-17-11-9-13/h4-12H,3H2,1-2H3
InChIKeyKDXVVOUDGPYYGW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.47
Rot. Bonds5

About 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one

1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one (PubChem CID 66469435) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one
PubChem CID66469435
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one
SMILESCCOc1ccccc1C(=O)C(C)c1ccncc1
InChIInChI=1S/C16H17NO2/c1-3-19-15-7-5-4-6-14(15)16(18)12(2)13-8-10-17-11-9-13/h4-12H,3H2,1-2H3
InChIKeyKDXVVOUDGPYYGW-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
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2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
2-(aminomethyl)-1-(2-ethoxyphenyl)-3-methylbutan-1-one
CID 116573817
1-(2-ethoxyphenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458596
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzenecarboperoxoic acid
CID 22314606
1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
CID 82101045
[(Z)-1-pyridin-4-ylethylideneamino] 2-ethoxybenzoate
CID 6250549

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one (CID 66469435) is 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one is CCOc1ccccc1C(=O)C(C)c1ccncc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one?
The InChIKey is KDXVVOUDGPYYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-19-15-7-5-4-6-14(15)16(18)12(2)13-8-10-17-11-9-13/h4-12H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one?
1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one has a molecular weight of 255.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 66469435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).