1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone

C16H17NO2 — CID 15783757

IUPAC1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone
SMILESCC(C)Oc1cccc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C16H17NO2/c1-12(2)19-16-10-6-9-14(17-16)11-15(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
InChIKeyISFVXLJQDGLOEY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.29
Rot. Bonds5

About 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone

1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone (PubChem CID 15783757) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone
PubChem CID15783757
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone
SMILESCC(C)Oc1cccc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C16H17NO2/c1-12(2)19-16-10-6-9-14(17-16)11-15(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
InChIKeyISFVXLJQDGLOEY-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
CID 129216307
2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone
CID 157202474
6-phenacylpyridine-2-carbonitrile
CID 19969618
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
2-(8-hydroxyquinolin-2-yl)-1-phenylethanone
CID 174915828
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone
CID 64831288
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 62799661
1-(3-bromophenyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 69350663
2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetic acid
CID 84676771
2-[2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 65137284

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone (CID 15783757) is 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone is CC(C)Oc1cccc(CC(=O)c2ccccc2)n1.
What is the InChIKey of 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone?
The InChIKey is ISFVXLJQDGLOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(2)19-16-10-6-9-14(17-16)11-15(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone?
1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 15783757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).