5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran

C13H14BrClO — CID 123330945

IUPAC5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran
SMILESCCC(C)Cc1cc2cc(Br)cc(Cl)c2o1
InChIInChI=1S/C13H14BrClO/c1-3-8(2)4-11-6-9-5-10(14)7-12(15)13(9)16-11/h5-8H,3-4H2,1-2H3
InChIKeyXUBIJFMECKRNPX-UHFFFAOYSA-N
MW301.61 g/mol
LogP5.44
Rot. Bonds3

About 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran

5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran (PubChem CID 123330945) has the molecular formula C13H14BrClO and a molecular weight of 301.61 g/mol. Its IUPAC name is 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran
PubChem CID123330945
Molecular FormulaC13H14BrClO
Molecular Weight301.61 g/mol
Exact Mass299.99
IUPAC Name5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran
SMILESCCC(C)Cc1cc2cc(Br)cc(Cl)c2o1
InChIInChI=1S/C13H14BrClO/c1-3-8(2)4-11-6-9-5-10(14)7-12(15)13(9)16-11/h5-8H,3-4H2,1-2H3
InChIKeyXUBIJFMECKRNPX-UHFFFAOYSA-N
XLogP5.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.61
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65438424
1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol
CID 65440694
5-bromo-2-(2-methylbutyl)-1,3-benzoxazol-7-amine
CID 114874873
N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438619
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
(7-chloro-5-methyl-1-benzofuran-2-yl)methanol
CID 65440518
N-[[5-bromo-7-chloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376058
6-bromo-8-chlorochromen-2-one
CID 22608599
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 113303050
N-[(7-chloro-5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440369
1-(5-bromo-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65438311
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 115402991

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran?
The IUPAC name of 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran (CID 123330945) is 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran?
The canonical SMILES for 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran is CCC(C)Cc1cc2cc(Br)cc(Cl)c2o1.
What is the InChIKey of 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran?
The InChIKey is XUBIJFMECKRNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClO/c1-3-8(2)4-11-6-9-5-10(14)7-12(15)13(9)16-11/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran?
5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran has a molecular weight of 301.61 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-2-(2-methylbutyl)-1-benzofuran is sourced from PubChem (CID 123330945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).