1-(4-pyridin-3-yloxyphenyl)ethanone

C13H11NO2 — CID 3016094

IUPAC1-(4-pyridin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C13H11NO2/c1-10(15)11-4-6-12(7-5-11)16-13-3-2-8-14-9-13/h2-9H,1H3
InChIKeyCLOBDYGKUVCMRD-UHFFFAOYSA-N
MW213.24 g/mol
LogP3.08
Rot. Bonds3

About 1-(4-pyridin-3-yloxyphenyl)ethanone

1-(4-pyridin-3-yloxyphenyl)ethanone (PubChem CID 3016094) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(4-pyridin-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-pyridin-3-yloxyphenyl)ethanone
PubChem CID3016094
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name1-(4-pyridin-3-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C13H11NO2/c1-10(15)11-4-6-12(7-5-11)16-13-3-2-8-14-9-13/h2-9H,1H3
InChIKeyCLOBDYGKUVCMRD-UHFFFAOYSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-3-yloxybenzoic acid
CID 22261667
1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
CID 55130531
1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone
CID 62908521
ethane;1-(4-hexoxyphenyl)ethanone;methane;4-pyridin-3-yloxybenzaldehyde
CID 143062011
(4-acetylphenyl) pyridine-3-sulfonate
CID 60548921
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
4-(4-acetylphenoxy)benzoic acid
CID 60723234
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride
CID 70486559
3-(4-acetylphenoxy)pyridine-4-carboxylic acid
CID 81443544
ethyl 3-methyl-4-oxo-4-(4-pyridin-3-yloxyphenyl)butanoate
CID 14798053
N-(2-hydroxy-6-methylphenyl)-4-pyridin-3-yloxybenzamide
CID 122159109

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-3-yloxyphenyl)ethanone?
The IUPAC name of 1-(4-pyridin-3-yloxyphenyl)ethanone (CID 3016094) is 1-(4-pyridin-3-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-pyridin-3-yloxyphenyl)ethanone?
The canonical SMILES for 1-(4-pyridin-3-yloxyphenyl)ethanone is CC(=O)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 1-(4-pyridin-3-yloxyphenyl)ethanone?
The InChIKey is CLOBDYGKUVCMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-10(15)11-4-6-12(7-5-11)16-13-3-2-8-14-9-13/h2-9H,1H3.
What are the key properties of 1-(4-pyridin-3-yloxyphenyl)ethanone?
1-(4-pyridin-3-yloxyphenyl)ethanone has a molecular weight of 213.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 3016094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).