2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran

C11H7Br2ClO — CID 106689046

IUPAC2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran
SMILESClc1ccc(C(Br)c2ccc(Br)cc2)o1
InChIInChI=1S/C11H7Br2ClO/c12-8-3-1-7(2-4-8)11(13)9-5-6-10(14)15-9/h1-6,11H
InChIKeyATHYRZMJYJTCCQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.18
Rot. Bonds2

About 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran

2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran (PubChem CID 106689046) has the molecular formula C11H7Br2ClO and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran.

Molecular Properties

Compound Name2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran
PubChem CID106689046
Molecular FormulaC11H7Br2ClO
Molecular Weight350.44 g/mol
Exact Mass347.86
IUPAC Name2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran
SMILESClc1ccc(C(Br)c2ccc(Br)cc2)o1
InChIInChI=1S/C11H7Br2ClO/c12-8-3-1-7(2-4-8)11(13)9-5-6-10(14)15-9/h1-6,11H
InChIKeyATHYRZMJYJTCCQ-UHFFFAOYSA-N
XLogP5.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.18
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

2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran
CID 106689080
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052
2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran
CID 106689058
2-[1-bromo-2-(4-bromophenyl)ethyl]-5-chlorofuran
CID 106689779
2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran
CID 106689189
2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran
CID 106689187
2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran
CID 61086501
5-[bromo-(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 106689183
7-bromo-8-[bromo-(5-chlorofuran-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 106689094
2-(4-bromophenoxy)-1-(5-chlorofuran-2-yl)ethanol
CID 117240190
[2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694163
2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran
CID 106689180

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran?
The IUPAC name of 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran (CID 106689046) is 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran.
What is the SMILES notation for 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran?
The canonical SMILES for 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran is Clc1ccc(C(Br)c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran?
The InChIKey is ATHYRZMJYJTCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClO/c12-8-3-1-7(2-4-8)11(13)9-5-6-10(14)15-9/h1-6,11H.
What are the key properties of 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran?
2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran has a molecular weight of 350.44 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran is sourced from PubChem (CID 106689046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).