[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate

C19H16O4 — CID 8535503

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H16O4/c1-12-7-8-13(2)15(9-12)19(21)22-11-16(20)18-10-14-5-3-4-6-17(14)23-18/h3-10H,11H2,1-2H3
InChIKeyWDYHRPOWVMHBLU-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.09
Rot. Bonds4

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 8535503) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID8535503
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H16O4/c1-12-7-8-13(2)15(9-12)19(21)22-11-16(20)18-10-14-5-3-4-6-17(14)23-18/h3-10H,11H2,1-2H3
InChIKeyWDYHRPOWVMHBLU-UHFFFAOYSA-N
XLogP4.09
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.09
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] 2,5-dimethylfuran-3-carboxylate
CID 8861643
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386600
[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-(2-bromophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2345743
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2,5-dimethylbenzoate
CID 2519588
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2532000
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-bromobenzoate
CID 2565891

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate (CID 8535503) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is WDYHRPOWVMHBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-12-7-8-13(2)15(9-12)19(21)22-11-16(20)18-10-14-5-3-4-6-17(14)23-18/h3-10H,11H2,1-2H3.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 308.33 g/mol, XLogP of 4.09, 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] 2,5-dimethylbenzoate is sourced from PubChem (CID 8535503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).