[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate

C20H18O4 — CID 7210520

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
SMILESCCCc1ccc(C(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H18O4/c1-2-5-14-8-10-15(11-9-14)17(21)13-23-20(22)19-12-16-6-3-4-7-18(16)24-19/h3-4,6-12H,2,5,13H2,1H3
InChIKeyIVEKGTJPIGIPKK-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.43
Rot. Bonds6

About [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate

[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate (PubChem CID 7210520) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
PubChem CID7210520
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
SMILESCCCc1ccc(C(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H18O4/c1-2-5-14-8-10-15(11-9-14)17(21)13-23-20(22)19-12-16-6-3-4-7-18(16)24-19/h3-4,6-12H,2,5,13H2,1H3
InChIKeyIVEKGTJPIGIPKK-UHFFFAOYSA-N
XLogP4.43
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] 2-oxochromene-3-carboxylate
CID 7785455
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-oxo-2-(4-propylphenyl)ethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729253
[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2689437
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
CID 8751695
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
(2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate
CID 7194073
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386600
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2346729

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate (CID 7210520) is [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate is CCCc1ccc(C(=O)COC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate?
The InChIKey is IVEKGTJPIGIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-2-5-14-8-10-15(11-9-14)17(21)13-23-20(22)19-12-16-6-3-4-7-18(16)24-19/h3-4,6-12H,2,5,13H2,1H3.
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate?
[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7210520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).