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

C14H16Br2O — CID 107002842

IUPAC5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCC1(C)CC1C(Br)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H16Br2O/c1-14(2)7-11(14)12(16)10-6-9(15)5-8-3-4-17-13(8)10/h5-6,11-12H,3-4,7H2,1-2H3
InChIKeyPZHAIOJZZQDSTO-UHFFFAOYSA-N
MW360.09 g/mol
LogP4.87
Rot. Bonds2

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

5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 107002842) has the molecular formula C14H16Br2O and a molecular weight of 360.09 g/mol. Its IUPAC name is 5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID107002842
Molecular FormulaC14H16Br2O
Molecular Weight360.09 g/mol
Exact Mass357.96
IUPAC Name5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCC1(C)CC1C(Br)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C14H16Br2O/c1-14(2)7-11(14)12(16)10-6-9(15)5-8-3-4-17-13(8)10/h5-6,11-12H,3-4,7H2,1-2H3
InChIKeyPZHAIOJZZQDSTO-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.09
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-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran
CID 113425227
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
5-bromo-7-(1-bromo-2-cyclopropylethyl)-2,3-dihydro-1-benzofuran
CID 104543568
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
5-bromo-7-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543584
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dibromophenyl)methanol
CID 107980780
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441
5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
CID 103166030
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-cyclopentylmethyl]ethanamine
CID 104541829
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclopropyl-N-ethylethanamine
CID 104541832

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran (CID 107002842) is 5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran is CC1(C)CC1C(Br)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is PZHAIOJZZQDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2O/c1-14(2)7-11(14)12(16)10-6-9(15)5-8-3-4-17-13(8)10/h5-6,11-12H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 360.09 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 5-bromo-7-[bromo-(2,2-dimethylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 107002842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).