1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one

C16H15NO3 — CID 63172618

IUPAC1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(O)c2cc3ccccc3o2)c1=O
InChIInChI=1S/C16H15NO3/c1-11-5-4-8-17(16(11)19)10-13(18)15-9-12-6-2-3-7-14(12)20-15/h2-9,13,18H,10H2,1H3
InChIKeyCIOZKJGKLAAPNX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one

1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one (PubChem CID 63172618) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
PubChem CID63172618
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(O)c2cc3ccccc3o2)c1=O
InChIInChI=1S/C16H15NO3/c1-11-5-4-8-17(16(11)19)10-13(18)15-9-12-6-2-3-7-14(12)20-15/h2-9,13,18H,10H2,1H3
InChIKeyCIOZKJGKLAAPNX-UHFFFAOYSA-N
XLogP2.64
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179188
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172847
1-(2-hydroxy-3,3-dimethylbutyl)-3-methylpyridin-2-one
CID 63172888
1-(3-chloro-2-hydroxypropyl)-3-methylpyridin-2-one
CID 112560286
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one
CID 79468551
(1R)-2-[(3aR,6aS)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-1-(1-benzofuran-2-yl)ethanol
CID 136585973
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 71804286
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one (CID 63172618) is 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one is Cc1cccn(CC(O)c2cc3ccccc3o2)c1=O.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one?
The InChIKey is CIOZKJGKLAAPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-5-4-8-17(16(11)19)10-13(18)15-9-12-6-2-3-7-14(12)20-15/h2-9,13,18H,10H2,1H3.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one?
1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63172618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).