1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one

C16H15NO2 — CID 66469631

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccc2c(c1)COC2)c1ccncc1
InChIInChI=1S/C16H15NO2/c1-11(12-4-6-17-7-5-12)16(18)13-2-3-14-9-19-10-15(14)8-13/h2-8,11H,9-10H2,1H3
InChIKeyMFPVMPZFLDEXJV-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.10
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one

1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one (PubChem CID 66469631) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
PubChem CID66469631
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccc2c(c1)COC2)c1ccncc1
InChIInChI=1S/C16H15NO2/c1-11(12-4-6-17-7-5-12)16(18)13-2-3-14-9-19-10-15(14)8-13/h2-8,11H,9-10H2,1H3
InChIKeyMFPVMPZFLDEXJV-UHFFFAOYSA-N
XLogP3.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66471641
2-cyclopropyl-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-one
CID 83154271
1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
CID 63021603
1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
CID 63021260
1-(3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-yl)ethanone
CID 23276908
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102
2-amino-1-(3,4-dihydro-1H-isochromen-6-yl)propan-1-one
CID 82609750
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone
CID 114973067
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744371
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one (CID 66469631) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one is CC(C(=O)c1ccc2c(c1)COC2)c1ccncc1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one?
The InChIKey is MFPVMPZFLDEXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11(12-4-6-17-7-5-12)16(18)13-2-3-14-9-19-10-15(14)8-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 66469631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).