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

C18H14O4 — CID 7972415

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H14O4/c1-12-6-8-13(9-7-12)18(20)21-11-15(19)17-10-14-4-2-3-5-16(14)22-17/h2-10H,11H2,1H3
InChIKeyHKQJBEAJOLIEIH-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.78
Rot. Bonds4

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

[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate (PubChem CID 7972415) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
PubChem CID7972415
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H14O4/c1-12-6-8-13(9-7-12)18(20)21-11-15(19)17-10-14-4-2-3-5-16(14)22-17/h2-10H,11H2,1H3
InChIKeyHKQJBEAJOLIEIH-UHFFFAOYSA-N
XLogP3.78
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386600
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535503
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861643
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2532000
[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
CID 7210520
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815189
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 25041610
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973625

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate (CID 7972415) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate?
The InChIKey is HKQJBEAJOLIEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-12-6-8-13(9-7-12)18(20)21-11-15(19)17-10-14-4-2-3-5-16(14)22-17/h2-10H,11H2,1H3.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate has a molecular weight of 294.31 g/mol, XLogP of 3.78, 4 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-methylbenzoate is sourced from PubChem (CID 7972415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).