5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran

C12H15BrO2 — CID 22343817

IUPAC5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran
SMILESCCOc1cc(Br)cc2c1OC(C)(C)C2
InChIInChI=1S/C12H15BrO2/c1-4-14-10-6-9(13)5-8-7-12(2,3)15-11(8)10/h5-6H,4,7H2,1-3H3
InChIKeyCJUMILQSXPXXKG-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.56
Rot. Bonds2

About 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran

5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran (PubChem CID 22343817) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran
PubChem CID22343817
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran
SMILESCCOc1cc(Br)cc2c1OC(C)(C)C2
InChIInChI=1S/C12H15BrO2/c1-4-14-10-6-9(13)5-8-7-12(2,3)15-11(8)10/h5-6H,4,7H2,1-3H3
InChIKeyCJUMILQSXPXXKG-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran 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 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran (CID 22343817) is 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran is CCOc1cc(Br)cc2c1OC(C)(C)C2.
What is the InChIKey of 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is CJUMILQSXPXXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-4-14-10-6-9(13)5-8-7-12(2,3)15-11(8)10/h5-6H,4,7H2,1-3H3.
What are the key properties of 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran?
5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 271.15 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-ethoxy-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 22343817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).