7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran

C12H12BrClO — CID 104544090

IUPAC7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Br)C3CC3)c1)OCC2
InChIInChI=1S/C12H12BrClO/c13-11(7-1-2-7)10-6-9(14)5-8-3-4-15-12(8)10/h5-7,11H,1-4H2
InChIKeyQHYCTFWVMSDRBS-UHFFFAOYSA-N
MW287.58 g/mol
LogP4.12
Rot. Bonds2

About 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran

7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran (PubChem CID 104544090) has the molecular formula C12H12BrClO and a molecular weight of 287.58 g/mol. Its IUPAC name is 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
PubChem CID104544090
Molecular FormulaC12H12BrClO
Molecular Weight287.58 g/mol
Exact Mass285.98
IUPAC Name7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Br)C3CC3)c1)OCC2
InChIInChI=1S/C12H12BrClO/c13-11(7-1-2-7)10-6-9(14)5-8-3-4-15-12(8)10/h5-7,11H,1-4H2
InChIKeyQHYCTFWVMSDRBS-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 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 ≤ 54.12
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

7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 113425278
7-[bromo(oxan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543959
7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 103166034
5-bromo-7-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
7-[bromo-(2,4,5-trimethyloxolan-3-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543957
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990
7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104544047
7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544096
7-[bromo-(3-chloro-5-methylphenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544026
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
CID 104632781
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
7-[bromo-(2-methyloxolan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 113425259

Frequently Asked Questions

What is the IUPAC name of 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran (CID 104544090) is 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran is Clc1cc2c(c(C(Br)C3CC3)c1)OCC2.
What is the InChIKey of 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is QHYCTFWVMSDRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClO/c13-11(7-1-2-7)10-6-9(14)5-8-3-4-15-12(8)10/h5-7,11H,1-4H2.
What are the key properties of 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran?
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 287.58 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104544090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).