[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

C21H20O5 — CID 8525475

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCC(=O)c3ccc(OC)cc3)coc2c1
InChIInChI=1S/C21H20O5/c1-3-14-4-9-18-16(12-25-20(18)10-14)11-21(23)26-13-19(22)15-5-7-17(24-2)8-6-15/h4-10,12H,3,11,13H2,1-2H3
InChIKeyYFAYRNXUVDXMGA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.97
Rot. Bonds7

About [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 8525475) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
PubChem CID8525475
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCC(=O)c3ccc(OC)cc3)coc2c1
InChIInChI=1S/C21H20O5/c1-3-14-4-9-18-16(12-25-20(18)10-14)11-21(23)26-13-19(22)15-5-7-17(24-2)8-6-15/h4-10,12H,3,11,13H2,1-2H3
InChIKeyYFAYRNXUVDXMGA-UHFFFAOYSA-N
XLogP3.97
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525426
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 42983061
[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807020
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525382
methyl 3-[[2-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 8525388
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415531
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7488971
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2129016
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (CID 8525475) is [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2c(CC(=O)OCC(=O)c3ccc(OC)cc3)coc2c1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is YFAYRNXUVDXMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-3-14-4-9-18-16(12-25-20(18)10-14)11-21(23)26-13-19(22)15-5-7-17(24-2)8-6-15/h4-10,12H,3,11,13H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 352.39 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8525475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).