5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran

C14H16Br2O — CID 103166030

IUPAC5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
SMILESBrc1cc2c(c(C(Br)CC3CCC3)c1)OCC2
InChIInChI=1S/C14H16Br2O/c15-11-7-10-4-5-17-14(10)12(8-11)13(16)6-9-2-1-3-9/h7-9,13H,1-6H2
InChIKeyQTVXYDUJJYGJRH-UHFFFAOYSA-N
MW360.09 g/mol
LogP5.01
Rot. Bonds3

About 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran

5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran (PubChem CID 103166030) has the molecular formula C14H16Br2O and a molecular weight of 360.09 g/mol. Its IUPAC name is 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
PubChem CID103166030
Molecular FormulaC14H16Br2O
Molecular Weight360.09 g/mol
Exact Mass357.96
IUPAC Name5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
SMILESBrc1cc2c(c(C(Br)CC3CCC3)c1)OCC2
InChIInChI=1S/C14H16Br2O/c15-11-7-10-4-5-17-14(10)12(8-11)13(16)6-9-2-1-3-9/h7-9,13H,1-6H2
InChIKeyQTVXYDUJJYGJRH-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.09
LogP ≤ 55.01
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-(1-bromo-2-cyclopropylethyl)-2,3-dihydro-1-benzofuran
CID 104543568
7-(1-bromo-2-cyclobutylethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 103166034
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
CID 103165529
5-bromo-7-(1-chloro-2-cyclopentylethyl)-2,3-dihydro-1-benzofuran
CID 104543397
5-bromo-7-[bromo(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543668
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclopropyl-N-ethylethanamine
CID 104541832
7-[6-bicyclo[3.1.0]hexanyl(bromo)methyl]-5-bromo-2,3-dihydro-1-benzofuran
CID 113425227
5-bromo-7-[chloro(cyclopentyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543463
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
CID 113425147
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-cyclopentylmethyl]ethanamine
CID 104541829
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cyclohexylpropan-2-amine
CID 105031611
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran (CID 103166030) is 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran is Brc1cc2c(c(C(Br)CC3CCC3)c1)OCC2.
What is the InChIKey of 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is QTVXYDUJJYGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2O/c15-11-7-10-4-5-17-14(10)12(8-11)13(16)6-9-2-1-3-9/h7-9,13H,1-6H2.
What are the key properties of 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran?
5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 360.09 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 103166030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).