7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran

C11H12BrClO2 — CID 118991708

IUPAC7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran
SMILESCOc1c(Cl)cc(Br)c2c1C(C)(C)CO2
InChIInChI=1S/C11H12BrClO2/c1-11(2)5-15-9-6(12)4-7(13)10(14-3)8(9)11/h4H,5H2,1-3H3
InChIKeyCGFDUKMGMLYQAA-UHFFFAOYSA-N
MW291.57 g/mol
LogP3.78
Rot. Bonds1

About 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran

7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran (PubChem CID 118991708) has the molecular formula C11H12BrClO2 and a molecular weight of 291.57 g/mol. Its IUPAC name is 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran
PubChem CID118991708
Molecular FormulaC11H12BrClO2
Molecular Weight291.57 g/mol
Exact Mass289.97
IUPAC Name7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran
SMILESCOc1c(Cl)cc(Br)c2c1C(C)(C)CO2
InChIInChI=1S/C11H12BrClO2/c1-11(2)5-15-9-6(12)4-7(13)10(14-3)8(9)11/h4H,5H2,1-3H3
InChIKeyCGFDUKMGMLYQAA-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran?
The IUPAC name of 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran (CID 118991708) is 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran.
What is the SMILES notation for 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran?
The canonical SMILES for 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran is COc1c(Cl)cc(Br)c2c1C(C)(C)CO2.
What is the InChIKey of 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran?
The InChIKey is CGFDUKMGMLYQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO2/c1-11(2)5-15-9-6(12)4-7(13)10(14-3)8(9)11/h4H,5H2,1-3H3.
What are the key properties of 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran?
7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran has a molecular weight of 291.57 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-4-methoxy-3,3-dimethyl-2H-1-benzofuran is sourced from PubChem (CID 118991708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).