7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran

C15H16Br2O — CID 113425227

IUPAC7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran
SMILESBrc1cc2c(c(C(Br)C3C4CCCC43)c1)OCC2
InChIInChI=1S/C15H16Br2O/c16-9-6-8-4-5-18-15(8)12(7-9)14(17)13-10-2-1-3-11(10)13/h6-7,10-11,13-14H,1-5H2
InChIKeyUGKFNPXPVLSVLS-UHFFFAOYSA-N
MW372.10 g/mol
LogP4.87
Rot. Bonds2

About 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran

7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran (PubChem CID 113425227) has the molecular formula C15H16Br2O and a molecular weight of 372.10 g/mol. Its IUPAC name is 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran
PubChem CID113425227
Molecular FormulaC15H16Br2O
Molecular Weight372.10 g/mol
Exact Mass369.96
IUPAC Name7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran
SMILESBrc1cc2c(c(C(Br)C3C4CCCC43)c1)OCC2
InChIInChI=1S/C15H16Br2O/c16-9-6-8-4-5-18-15(8)12(7-9)14(17)13-10-2-1-3-11(10)13/h6-7,10-11,13-14H,1-5H2
InChIKeyUGKFNPXPVLSVLS-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.10
LogP ≤ 54.87
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

5-bromo-7-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
CID 103166030
5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
CID 107002842
5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543463
5-bromo-7-(1-bromo-2-cyclopropylethyl)-2,3-dihydro-1-benzofuran
CID 104543568
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
CID 103165529
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
CID 113425147
5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran
CID 104543397
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-cyclopentylmethyl]ethanamine
CID 104541829

Frequently Asked Questions

What is the IUPAC name of 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran (CID 113425227) is 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran is Brc1cc2c(c(C(Br)C3C4CCCC43)c1)OCC2.
What is the InChIKey of 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran?
The InChIKey is UGKFNPXPVLSVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2O/c16-9-6-8-4-5-18-15(8)12(7-9)14(17)13-10-2-1-3-11(10)13/h6-7,10-11,13-14H,1-5H2.
What are the key properties of 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran?
7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran has a molecular weight of 372.10 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 113425227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).