2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran

C12H12BrClO — CID 114732842

IUPAC2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran
SMILESCC(Br)C(C)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H12BrClO/c1-7(8(2)13)12-6-9-5-10(14)3-4-11(9)15-12/h3-8H,1-2H3
InChIKeyMBEQISGGPDQVPD-UHFFFAOYSA-N
MW287.58 g/mol
LogP4.97
Rot. Bonds2

About 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran

2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran (PubChem CID 114732842) has the molecular formula C12H12BrClO and a molecular weight of 287.58 g/mol. Its IUPAC name is 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran.

Molecular Properties

Compound Name2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran
PubChem CID114732842
Molecular FormulaC12H12BrClO
Molecular Weight287.58 g/mol
Exact Mass285.98
IUPAC Name2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran
SMILESCC(Br)C(C)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H12BrClO/c1-7(8(2)13)12-6-9-5-10(14)3-4-11(9)15-12/h3-8H,1-2H3
InChIKeyMBEQISGGPDQVPD-UHFFFAOYSA-N
XLogP4.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.58
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
3-(5-chloro-1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 114735605
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
[2-chloro-1-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroethyl]hydrazine
CID 105265344
2-(3-bromobutan-2-yl)-7-chloro-1-benzofuran
CID 114732847
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577
[(3-bromo-5-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107948526

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran?
The IUPAC name of 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran (CID 114732842) is 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran.
What is the SMILES notation for 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran?
The canonical SMILES for 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran is CC(Br)C(C)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran?
The InChIKey is MBEQISGGPDQVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClO/c1-7(8(2)13)12-6-9-5-10(14)3-4-11(9)15-12/h3-8H,1-2H3.
What are the key properties of 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran?
2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran has a molecular weight of 287.58 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran is sourced from PubChem (CID 114732842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).