2-(3-bromophenyl)-5-chloro-1-benzofuran

C14H8BrClO — CID 91689952

IUPAC2-(3-bromophenyl)-5-chloro-1-benzofuran
SMILESClc1ccc2oc(-c3cccc(Br)c3)cc2c1
InChIInChI=1S/C14H8BrClO/c15-11-3-1-2-9(6-11)14-8-10-7-12(16)4-5-13(10)17-14/h1-8H
InChIKeyUFUUBNIETKJMHF-UHFFFAOYSA-N
MW307.57 g/mol
LogP5.52
Rot. Bonds1

About 2-(3-bromophenyl)-5-chloro-1-benzofuran

2-(3-bromophenyl)-5-chloro-1-benzofuran (PubChem CID 91689952) has the molecular formula C14H8BrClO and a molecular weight of 307.57 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-chloro-1-benzofuran.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-chloro-1-benzofuran
PubChem CID91689952
Molecular FormulaC14H8BrClO
Molecular Weight307.57 g/mol
Exact Mass305.94
IUPAC Name2-(3-bromophenyl)-5-chloro-1-benzofuran
SMILESClc1ccc2oc(-c3cccc(Br)c3)cc2c1
InChIInChI=1S/C14H8BrClO/c15-11-3-1-2-9(6-11)14-8-10-7-12(16)4-5-13(10)17-14/h1-8H
InChIKeyUFUUBNIETKJMHF-UHFFFAOYSA-N
XLogP5.52
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-2-(3-chlorophenyl)-1-benzofuran
CID 134273119
methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate
CID 172602986
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
2-(3-bromo-5-chlorophenyl)-1-benzofuran
CID 144661039
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889
2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734218
3-(5-chloro-1-benzofuran-2-yl)-2-methylaniline
CID 107626948
2-(3-bromophenyl)sulfanyl-1-(5-chloro-1-benzofuran-2-yl)ethanol
CID 114726811
1-(3-bromophenyl)-4-chloro-2-phenylbenzene
CID 166487710
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one
CID 114732079

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-chloro-1-benzofuran?
The IUPAC name of 2-(3-bromophenyl)-5-chloro-1-benzofuran (CID 91689952) is 2-(3-bromophenyl)-5-chloro-1-benzofuran.
What is the SMILES notation for 2-(3-bromophenyl)-5-chloro-1-benzofuran?
The canonical SMILES for 2-(3-bromophenyl)-5-chloro-1-benzofuran is Clc1ccc2oc(-c3cccc(Br)c3)cc2c1.
What is the InChIKey of 2-(3-bromophenyl)-5-chloro-1-benzofuran?
The InChIKey is UFUUBNIETKJMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClO/c15-11-3-1-2-9(6-11)14-8-10-7-12(16)4-5-13(10)17-14/h1-8H.
What are the key properties of 2-(3-bromophenyl)-5-chloro-1-benzofuran?
2-(3-bromophenyl)-5-chloro-1-benzofuran has a molecular weight of 307.57 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-chloro-1-benzofuran is sourced from PubChem (CID 91689952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).