4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran

C11H13BrO2 — CID 11097214

IUPAC4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran
SMILESCOc1ccc(Br)c2c1OC(C)(C)C2
InChIInChI=1S/C11H13BrO2/c1-11(2)6-7-8(12)4-5-9(13-3)10(7)14-11/h4-5H,6H2,1-3H3
InChIKeyXYSYKOFMYLWSKX-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.17
Rot. Bonds1

About 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran

4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran (PubChem CID 11097214) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran
PubChem CID11097214
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran
SMILESCOc1ccc(Br)c2c1OC(C)(C)C2
InChIInChI=1S/C11H13BrO2/c1-11(2)6-7-8(12)4-5-9(13-3)10(7)14-11/h4-5H,6H2,1-3H3
InChIKeyXYSYKOFMYLWSKX-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran (CID 11097214) is 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran is COc1ccc(Br)c2c1OC(C)(C)C2.
What is the InChIKey of 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is XYSYKOFMYLWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-11(2)6-7-8(12)4-5-9(13-3)10(7)14-11/h4-5H,6H2,1-3H3.
What are the key properties of 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran?
4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 257.13 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 11097214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).