5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran

C15H9BrCl2O — CID 13004045

IUPAC5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran
SMILESClc1ccc(Cl)c(Cc2cc3cc(Br)ccc3o2)c1
InChIInChI=1S/C15H9BrCl2O/c16-11-1-4-15-10(5-11)8-13(19-15)7-9-6-12(17)2-3-14(9)18/h1-6,8H,7H2
InChIKeyGAGUYFPMTJFWAW-UHFFFAOYSA-N
MW356.05 g/mol
LogP6.09
Rot. Bonds2

About 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran

5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran (PubChem CID 13004045) has the molecular formula C15H9BrCl2O and a molecular weight of 356.05 g/mol. Its IUPAC name is 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran
PubChem CID13004045
Molecular FormulaC15H9BrCl2O
Molecular Weight356.05 g/mol
Exact Mass353.92
IUPAC Name5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran
SMILESClc1ccc(Cl)c(Cc2cc3cc(Br)ccc3o2)c1
InChIInChI=1S/C15H9BrCl2O/c16-11-1-4-15-10(5-11)8-13(19-15)7-9-6-12(17)2-3-14(9)18/h1-6,8H,7H2
InChIKeyGAGUYFPMTJFWAW-UHFFFAOYSA-N
XLogP6.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.05
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-(methylsulfanylmethyl)-1-benzofuran
CID 117176006
5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
CID 19918528
6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine
CID 81266419
5-bromo-2-(ethylsulfonylmethyl)-1-benzofuran
CID 117175888
4-[(5-chloro-1-benzofuran-2-yl)methyl]-3-methyl-1H-pyridazin-6-one
CID 86566753
(5-bromo-1-benzofuran-2-yl)methanol;5-bromo-2-fluoro-1-benzofuran
CID 165028818
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
(2,5-dichlorophenyl) 6-bromo-2-oxochromene-3-carboxylate
CID 19132910
2-bromo-6-chloroanthracene
CID 22728523
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114736998
ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
CID 82645490
5-chloro-2-iodo-1-benzofuran
CID 147151831

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran?
The IUPAC name of 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran (CID 13004045) is 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran.
What is the SMILES notation for 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran?
The canonical SMILES for 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran is Clc1ccc(Cl)c(Cc2cc3cc(Br)ccc3o2)c1.
What is the InChIKey of 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran?
The InChIKey is GAGUYFPMTJFWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2O/c16-11-1-4-15-10(5-11)8-13(19-15)7-9-6-12(17)2-3-14(9)18/h1-6,8H,7H2.
What are the key properties of 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran?
5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran has a molecular weight of 356.05 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,5-dichlorophenyl)methyl]-1-benzofuran is sourced from PubChem (CID 13004045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).