1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one

C16H15F2NO3 — CID 25179115

IUPAC1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OC(F)F)c(Oc2ccccn2)c1
InChIInChI=1S/C16H15F2NO3/c1-2-5-12(20)11-7-8-13(22-16(17)18)14(10-11)21-15-6-3-4-9-19-15/h3-4,6-10,16H,2,5H2,1H3
InChIKeyKWJSYYRZFWZKCZ-UHFFFAOYSA-N
MW307.30 g/mol
LogP4.46
Rot. Bonds7

About 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one

1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one (PubChem CID 25179115) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one
PubChem CID25179115
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OC(F)F)c(Oc2ccccn2)c1
InChIInChI=1S/C16H15F2NO3/c1-2-5-12(20)11-7-8-13(22-16(17)18)14(10-11)21-15-6-3-4-9-19-15/h3-4,6-10,16H,2,5H2,1H3
InChIKeyKWJSYYRZFWZKCZ-UHFFFAOYSA-N
XLogP4.46
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-5-Methoxy-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1Hinden-1-one (11b)
CID 122172776
3-Methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde
CID 759793
4-Formyl-2-methoxyphenyl pyridine-3-carboxylate
CID 889780
(2E)-5-Methoxy-2-(pyridin-2-ylmethylidene)-2,3-dihydro-1Hinden-1-one (11d)
CID 122172777
(2E)-2-[[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-5,6-dimethoxy-3H-inden-1-one bromide
CID 137651178
4-(3,4-dimethoxyphenyl)-4-oxo-N-(pyridin-3-yl)butanamide
CID 971201
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2106027
[2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate
CID 2362683
ST51003480
CID 5336233
(2Z)-6-methoxy-2-(pyridin-2-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one
CID 5803693
2-(3,4-diethoxyphenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
CID 25237316
3,4-Dimethoxy-N-(3-pyridinylmethyl)benzamide
CID 597002

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one?
The IUPAC name of 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one (CID 25179115) is 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one is CCCC(=O)c1ccc(OC(F)F)c(Oc2ccccn2)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one?
The InChIKey is KWJSYYRZFWZKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-2-5-12(20)11-7-8-13(22-16(17)18)14(10-11)21-15-6-3-4-9-19-15/h3-4,6-10,16H,2,5H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one?
1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one has a molecular weight of 307.30 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-pyridin-2-yloxyphenyl]butan-1-one is sourced from PubChem (CID 25179115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).