1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone

C16H17NO2 — CID 62031765

IUPAC1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
SMILESO=C(COCCCc1ccncc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(15-6-2-1-3-7-15)13-19-12-4-5-14-8-10-17-11-9-14/h1-3,6-11H,4-5,12-13H2
InChIKeyAVVZLWOBUXFUJP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.91
Rot. Bonds7

About 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone

1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone (PubChem CID 62031765) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
PubChem CID62031765
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
SMILESO=C(COCCCc1ccncc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(15-6-2-1-3-7-15)13-19-12-4-5-14-8-10-17-11-9-14/h1-3,6-11H,4-5,12-13H2
InChIKeyAVVZLWOBUXFUJP-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(pyridin-4-ylmethoxy)ethanone
CID 23312308
1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62029515
1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
CID 62031771
2-phenacyloxy-1-phenylethanone
CID 12781821
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800825
1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
CID 62031591
2-(4-phenylbutoxy)acetic acid
CID 24769508
methyl 3-(3-pyridin-4-ylpropoxy)propanoate
CID 29006354
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanamine
CID 55243631
ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate
CID 103484981

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone?
The IUPAC name of 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone (CID 62031765) is 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone.
What is the SMILES notation for 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone?
The canonical SMILES for 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone is O=C(COCCCc1ccncc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone?
The InChIKey is AVVZLWOBUXFUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(15-6-2-1-3-7-15)13-19-12-4-5-14-8-10-17-11-9-14/h1-3,6-11H,4-5,12-13H2.
What are the key properties of 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone?
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone has a molecular weight of 255.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone is sourced from PubChem (CID 62031765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).