[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C21H20O5 — CID 7807020

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCCCc1ccc(C(=O)COC(=O)Cc2coc3cc(O)ccc23)cc1
InChIInChI=1S/C21H20O5/c1-2-3-14-4-6-15(7-5-14)19(23)13-26-21(24)10-16-12-25-20-11-17(22)8-9-18(16)20/h4-9,11-12,22H,2-3,10,13H2,1H3
InChIKeyAJIJCBVXCGYOBQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.06
Rot. Bonds7

About [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 7807020) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID7807020
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCCCc1ccc(C(=O)COC(=O)Cc2coc3cc(O)ccc23)cc1
InChIInChI=1S/C21H20O5/c1-2-3-14-4-6-15(7-5-14)19(23)13-26-21(24)10-16-12-25-20-11-17(22)8-9-18(16)20/h4-9,11-12,22H,2-3,10,13H2,1H3
InChIKeyAJIJCBVXCGYOBQ-UHFFFAOYSA-N
XLogP4.06
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525475
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525426
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415531
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887166
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7488971
methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7807198
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415026
(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415600
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887243
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 9456977
2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414644
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 7807020) is [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is CCCc1ccc(C(=O)COC(=O)Cc2coc3cc(O)ccc23)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is AJIJCBVXCGYOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-2-3-14-4-6-15(7-5-14)19(23)13-26-21(24)10-16-12-25-20-11-17(22)8-9-18(16)20/h4-9,11-12,22H,2-3,10,13H2,1H3.
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 352.39 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7807020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).