5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one

C20H15NO3 — CID 11197902

IUPAC5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1)C(c1ccc(-c3ccccn3)cc1)OC2=O
InChIInChI=1S/C20H15NO3/c1-23-15-9-10-16-17(12-15)19(24-20(16)22)14-7-5-13(6-8-14)18-4-2-3-11-21-18/h2-12,19H,1H3
InChIKeyLOCOWMGAWFVNGJ-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.02
Rot. Bonds3

About 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one

5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one (PubChem CID 11197902) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one
PubChem CID11197902
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one
SMILESCOc1ccc2c(c1)C(c1ccc(-c3ccccn3)cc1)OC2=O
InChIInChI=1S/C20H15NO3/c1-23-15-9-10-16-17(12-15)19(24-20(16)22)14-7-5-13(6-8-14)18-4-2-3-11-21-18/h2-12,19H,1H3
InChIKeyLOCOWMGAWFVNGJ-UHFFFAOYSA-N
XLogP4.02
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
3-(4-methoxyphenyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 139267080
2-(2-cyclooctyl-4-methoxyphenyl)pyridine
CID 102473912
3-(5-ethylfuran-2-yl)-5-methoxy-3H-2-benzofuran-1-one
CID 10729889
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
CID 142438981
3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one
CID 135058930
4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 86064133
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 132915596
7-(2,5-dimethoxyphenyl)-7H-furo[3,4-b]pyrazin-5-one
CID 12573856
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
3-(2,5-dimethoxyphenyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
CID 13448509

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one?
The IUPAC name of 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one (CID 11197902) is 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one is COc1ccc2c(c1)C(c1ccc(-c3ccccn3)cc1)OC2=O.
What is the InChIKey of 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one?
The InChIKey is LOCOWMGAWFVNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-23-15-9-10-16-17(12-15)19(24-20(16)22)14-7-5-13(6-8-14)18-4-2-3-11-21-18/h2-12,19H,1H3.
What are the key properties of 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one?
5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one has a molecular weight of 317.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 11197902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).