methyl 2-(2-bromo-1-benzofuran-5-yl)acetate

C11H9BrO3 — CID 71247269

IUPACmethyl 2-(2-bromo-1-benzofuran-5-yl)acetate
SMILESCOC(=O)Cc1ccc2oc(Br)cc2c1
InChIInChI=1S/C11H9BrO3/c1-14-11(13)5-7-2-3-9-8(4-7)6-10(12)15-9/h2-4,6H,5H2,1H3
InChIKeyHHSDXAKZOZWJJT-UHFFFAOYSA-N
MW269.09 g/mol
LogP2.91
Rot. Bonds2

About methyl 2-(2-bromo-1-benzofuran-5-yl)acetate

methyl 2-(2-bromo-1-benzofuran-5-yl)acetate (PubChem CID 71247269) has the molecular formula C11H9BrO3 and a molecular weight of 269.09 g/mol. Its IUPAC name is methyl 2-(2-bromo-1-benzofuran-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-1-benzofuran-5-yl)acetate
PubChem CID71247269
Molecular FormulaC11H9BrO3
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Namemethyl 2-(2-bromo-1-benzofuran-5-yl)acetate
SMILESCOC(=O)Cc1ccc2oc(Br)cc2c1
InChIInChI=1S/C11H9BrO3/c1-14-11(13)5-7-2-3-9-8(4-7)6-10(12)15-9/h2-4,6H,5H2,1H3
InChIKeyHHSDXAKZOZWJJT-UHFFFAOYSA-N
XLogP2.91
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(pyridine-4-carbonyl)-1-benzofuran-5-yl]acetate
CID 71246503
methyl 2-[2-[2-(hydroxymethyl)-3-pyridinyl]-1-benzofuran-5-yl]acetate
CID 71246886
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
CID 77231209
2-(2-bromo-1-benzofuran-5-yl)ethanamine
CID 83898777
methyl 2-[4-(6-bromo-5-methoxy-1-benzofuran-2-yl)phenyl]acetate
CID 71056255
methyl 2-(2-sulfamoyl-1,3-benzoxazol-6-yl)acetate
CID 165353850
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
methyl 2-[4-bromo-3-(methoxymethyl)phenyl]acetate
CID 163292027
methyl 2-quinazolin-6-ylacetate
CID 67429396
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
2-bromo-5-(4-ethylphenyl)-1-benzofuran
CID 151089917

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-1-benzofuran-5-yl)acetate?
The IUPAC name of methyl 2-(2-bromo-1-benzofuran-5-yl)acetate (CID 71247269) is methyl 2-(2-bromo-1-benzofuran-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-bromo-1-benzofuran-5-yl)acetate?
The canonical SMILES for methyl 2-(2-bromo-1-benzofuran-5-yl)acetate is COC(=O)Cc1ccc2oc(Br)cc2c1.
What is the InChIKey of methyl 2-(2-bromo-1-benzofuran-5-yl)acetate?
The InChIKey is HHSDXAKZOZWJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO3/c1-14-11(13)5-7-2-3-9-8(4-7)6-10(12)15-9/h2-4,6H,5H2,1H3.
What are the key properties of methyl 2-(2-bromo-1-benzofuran-5-yl)acetate?
methyl 2-(2-bromo-1-benzofuran-5-yl)acetate has a molecular weight of 269.09 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-1-benzofuran-5-yl)acetate is sourced from PubChem (CID 71247269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).