7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran

C15H16BrClO — CID 113425278

IUPAC7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Br)C3CC4CC4C3)c1)OCC2
InChIInChI=1S/C15H16BrClO/c16-14(11-4-9-3-10(9)5-11)13-7-12(17)6-8-1-2-18-15(8)13/h6-7,9-11,14H,1-5H2
InChIKeyXDVGBJNJSPSYGH-UHFFFAOYSA-N
MW327.65 g/mol
LogP4.76
Rot. Bonds2

About 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran

7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran (PubChem CID 113425278) has the molecular formula C15H16BrClO and a molecular weight of 327.65 g/mol. Its IUPAC name is 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran
PubChem CID113425278
Molecular FormulaC15H16BrClO
Molecular Weight327.65 g/mol
Exact Mass326.01
IUPAC Name7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C(Br)C3CC4CC4C3)c1)OCC2
InChIInChI=1S/C15H16BrClO/c16-14(11-4-9-3-10(9)5-11)13-7-12(17)6-8-1-2-18-15(8)13/h6-7,9-11,14H,1-5H2
InChIKeyXDVGBJNJSPSYGH-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.65
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090
7-[bromo(oxan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543959
7-[bromo-(2,4,5-trimethyloxolan-3-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543957
7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 103166034
7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104544047
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990
5-bromo-7-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
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
7-[bromo(thiophen-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544052
7-[bromo-(2-methyloxolan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 113425259
7-(1-bromo-2-methylpentyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104544057

Frequently Asked Questions

What is the IUPAC name of 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran (CID 113425278) is 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran is Clc1cc2c(c(C(Br)C3CC4CC4C3)c1)OCC2.
What is the InChIKey of 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is XDVGBJNJSPSYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClO/c16-14(11-4-9-3-10(9)5-11)13-7-12(17)6-8-1-2-18-15(8)13/h6-7,9-11,14H,1-5H2.
What are the key properties of 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran?
7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 327.65 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 113425278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).