ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate

C14H15BrO4 — CID 168752670

IUPACethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate
SMILESCCOC(=O)Cc1coc2ccc(OCCBr)cc12
InChIInChI=1S/C14H15BrO4/c1-2-17-14(16)7-10-9-19-13-4-3-11(8-12(10)13)18-6-5-15/h3-4,8-9H,2,5-7H2,1H3
InChIKeyJUBXUBJBPVWUEE-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.31
Rot. Bonds6

About ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate

ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate (PubChem CID 168752670) has the molecular formula C14H15BrO4 and a molecular weight of 327.17 g/mol. Its IUPAC name is ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate
PubChem CID168752670
Molecular FormulaC14H15BrO4
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Nameethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate
SMILESCCOC(=O)Cc1coc2ccc(OCCBr)cc12
InChIInChI=1S/C14H15BrO4/c1-2-17-14(16)7-10-9-19-13-4-3-11(8-12(10)13)18-6-5-15/h3-4,8-9H,2,5-7H2,1H3
InChIKeyJUBXUBJBPVWUEE-UHFFFAOYSA-N
XLogP3.31
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
ethyl 2-(6-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 162195256
ethyl 2-(5-iodo-6-methyl-1-benzofuran-3-yl)acetate
CID 161350114
(4-methylphenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18872439
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
CID 12936152
ethyl 2-furo[3,2-b]pyridin-3-ylacetate
CID 10442936
ethyl 2-[7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzo[e][1]benzofuran-1-yl]acetate
CID 166788149
ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate
CID 158821566
(4-chlorophenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18860472
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7252001
2-butoxyethyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86888711
(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55339227

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate (CID 168752670) is ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate is CCOC(=O)Cc1coc2ccc(OCCBr)cc12.
What is the InChIKey of ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate?
The InChIKey is JUBXUBJBPVWUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO4/c1-2-17-14(16)7-10-9-19-13-4-3-11(8-12(10)13)18-6-5-15/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate?
ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate has a molecular weight of 327.17 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate is sourced from PubChem (CID 168752670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).