2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

C14H14O5 — CID 55327046

IUPAC2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(C)=O)coc2c1
InChIInChI=1S/C14H14O5/c1-9(15)7-19-14(16)5-10-8-18-13-6-11(17-2)3-4-12(10)13/h3-4,6,8H,5,7H2,1-2H3
InChIKeyUVCFKJJMLKBLAE-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.12
Rot. Bonds5

About 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 55327046) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID55327046
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(C)=O)coc2c1
InChIInChI=1S/C14H14O5/c1-9(15)7-19-14(16)5-10-8-18-13-6-11(17-2)3-4-12(10)13/h3-4,6,8H,5,7H2,1-2H3
InChIKeyUVCFKJJMLKBLAE-UHFFFAOYSA-N
XLogP2.12
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 42983061
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4857170
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7488971
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 46806072
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902197
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7480706

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 55327046) is 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(C)=O)coc2c1.
What is the InChIKey of 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is UVCFKJJMLKBLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-9(15)7-19-14(16)5-10-8-18-13-6-11(17-2)3-4-12(10)13/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 262.26 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 55327046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).