[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate

C23H16O4 — CID 23995291

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
SMILESO=C(OCC(=O)c1cc2ccccc2o1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16O4/c24-20(22-14-19-8-4-5-9-21(19)27-22)15-26-23(25)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyBDAXTZCROJKLND-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.14
Rot. Bonds5

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate (PubChem CID 23995291) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
PubChem CID23995291
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
SMILESO=C(OCC(=O)c1cc2ccccc2o1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16O4/c24-20(22-14-19-8-4-5-9-21(19)27-22)15-26-23(25)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14H,15H2
InChIKeyBDAXTZCROJKLND-UHFFFAOYSA-N
XLogP5.14
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386600
[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2532000
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861643
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535503
[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
CID 7210520
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
CID 43800797
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973625
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2346729

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate (CID 23995291) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate is O=C(OCC(=O)c1cc2ccccc2o1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate?
The InChIKey is BDAXTZCROJKLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O4/c24-20(22-14-19-8-4-5-9-21(19)27-22)15-26-23(25)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14H,15H2.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate has a molecular weight of 356.38 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate is sourced from PubChem (CID 23995291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).