[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate

C12H11BrO3 — CID 11358037

IUPAC[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C12H11BrO3/c1-7(15-8(2)14)12-6-9-5-10(13)3-4-11(9)16-12/h3-7H,1-2H3/t7-/m1/s1
InChIKeyJDDOUVAKQSAIQD-SSDOTTSWSA-N
MW283.12 g/mol
LogP3.82
Rot. Bonds2

About [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate

[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate (PubChem CID 11358037) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate
PubChem CID11358037
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C12H11BrO3/c1-7(15-8(2)14)12-6-9-5-10(13)3-4-11(9)16-12/h3-7H,1-2H3/t7-/m1/s1
InChIKeyJDDOUVAKQSAIQD-SSDOTTSWSA-N
XLogP3.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate?
The IUPAC name of [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate (CID 11358037) is [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate.
What is the SMILES notation for [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate?
The canonical SMILES for [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate is CC(=O)O[C@H](C)c1cc2cc(Br)ccc2o1.
What is the InChIKey of [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate?
The InChIKey is JDDOUVAKQSAIQD-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-7(15-8(2)14)12-6-9-5-10(13)3-4-11(9)16-12/h3-7H,1-2H3/t7-/m1/s1.
What are the key properties of [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate?
[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate has a molecular weight of 283.12 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate is sourced from PubChem (CID 11358037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).