1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone

C16H17NO2 — CID 172651082

IUPAC1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone
SMILESCC(=O)c1cc(-c2cccnc2)ccc1OC(C)C
InChIInChI=1S/C16H17NO2/c1-11(2)19-16-7-6-13(9-15(16)12(3)18)14-5-4-8-17-10-14/h4-11H,1-3H3
InChIKeyHSDLSLAVHHITNP-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.74
Rot. Bonds4

About 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone

1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone (PubChem CID 172651082) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone
PubChem CID172651082
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone
SMILESCC(=O)c1cc(-c2cccnc2)ccc1OC(C)C
InChIInChI=1S/C16H17NO2/c1-11(2)19-16-7-6-13(9-15(16)12(3)18)14-5-4-8-17-10-14/h4-11H,1-3H3
InChIKeyHSDLSLAVHHITNP-UHFFFAOYSA-N
XLogP3.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-5-pyridin-3-ylphenyl)ethanone
CID 148842399
2-acetyloxy-5-pyridin-3-ylbenzoic acid
CID 66990214
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
5-phenyl-2-propan-2-yloxybenzoic acid
CID 83969126
4-propan-2-yloxy-3-pyridin-3-ylbenzaldehyde
CID 172651055
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
CID 172651049

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone?
The IUPAC name of 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone (CID 172651082) is 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone?
The canonical SMILES for 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone is CC(=O)c1cc(-c2cccnc2)ccc1OC(C)C.
What is the InChIKey of 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone?
The InChIKey is HSDLSLAVHHITNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11(2)19-16-7-6-13(9-15(16)12(3)18)14-5-4-8-17-10-14/h4-11H,1-3H3.
What are the key properties of 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone?
1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone is sourced from PubChem (CID 172651082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).