7-bromo-2-(bromomethyl)-1-benzofuran

C9H6Br2O — CID 103818929

IUPAC7-bromo-2-(bromomethyl)-1-benzofuran
SMILESBrCc1cc2cccc(Br)c2o1
InChIInChI=1S/C9H6Br2O/c10-5-7-4-6-2-1-3-8(11)9(6)12-7/h1-4H,5H2
InChIKeyRILKTHVXSLYMMG-UHFFFAOYSA-N
MW289.95 g/mol
LogP4.09
Rot. Bonds1

About 7-bromo-2-(bromomethyl)-1-benzofuran

7-bromo-2-(bromomethyl)-1-benzofuran (PubChem CID 103818929) has the molecular formula C9H6Br2O and a molecular weight of 289.95 g/mol. Its IUPAC name is 7-bromo-2-(bromomethyl)-1-benzofuran.

Molecular Properties

Compound Name7-bromo-2-(bromomethyl)-1-benzofuran
PubChem CID103818929
Molecular FormulaC9H6Br2O
Molecular Weight289.95 g/mol
Exact Mass287.88
IUPAC Name7-bromo-2-(bromomethyl)-1-benzofuran
SMILESBrCc1cc2cccc(Br)c2o1
InChIInChI=1S/C9H6Br2O/c10-5-7-4-6-2-1-3-8(11)9(6)12-7/h1-4H,5H2
InChIKeyRILKTHVXSLYMMG-UHFFFAOYSA-N
XLogP4.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.95
LogP ≤ 54.09
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-bromo-1-benzofuran-2-yl)methanamine
CID 61389824
7-bromo-2-(chloromethyl)-1-benzofuran
CID 103027295
1-[(7-bromo-1-benzofuran-2-yl)methyl]azepane
CID 117182734
7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117182771
2-N-[(7-bromo-1-benzofuran-2-yl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103110012
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol
CID 105108452
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
CID 105094359

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(bromomethyl)-1-benzofuran?
The IUPAC name of 7-bromo-2-(bromomethyl)-1-benzofuran (CID 103818929) is 7-bromo-2-(bromomethyl)-1-benzofuran.
What is the SMILES notation for 7-bromo-2-(bromomethyl)-1-benzofuran?
The canonical SMILES for 7-bromo-2-(bromomethyl)-1-benzofuran is BrCc1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-2-(bromomethyl)-1-benzofuran?
The InChIKey is RILKTHVXSLYMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2O/c10-5-7-4-6-2-1-3-8(11)9(6)12-7/h1-4H,5H2.
What are the key properties of 7-bromo-2-(bromomethyl)-1-benzofuran?
7-bromo-2-(bromomethyl)-1-benzofuran has a molecular weight of 289.95 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(bromomethyl)-1-benzofuran is sourced from PubChem (CID 103818929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).