7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran

C14H7BrCl2O — CID 21447344

IUPAC7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran
SMILESClc1ccc(-c2coc3c(Br)cccc23)cc1Cl
InChIInChI=1S/C14H7BrCl2O/c15-11-3-1-2-9-10(7-18-14(9)11)8-4-5-12(16)13(17)6-8/h1-7H
InChIKeyMZNPTWSKOFFYDG-UHFFFAOYSA-N
MW342.02 g/mol
LogP6.17
Rot. Bonds1

About 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran

7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran (PubChem CID 21447344) has the molecular formula C14H7BrCl2O and a molecular weight of 342.02 g/mol. Its IUPAC name is 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran.

Molecular Properties

Compound Name7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran
PubChem CID21447344
Molecular FormulaC14H7BrCl2O
Molecular Weight342.02 g/mol
Exact Mass339.91
IUPAC Name7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran
SMILESClc1ccc(-c2coc3c(Br)cccc23)cc1Cl
InChIInChI=1S/C14H7BrCl2O/c15-11-3-1-2-9-10(7-18-14(9)11)8-4-5-12(16)13(17)6-8/h1-7H
InChIKeyMZNPTWSKOFFYDG-UHFFFAOYSA-N
XLogP6.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.02
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran?
The IUPAC name of 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran (CID 21447344) is 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran.
What is the SMILES notation for 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran?
The canonical SMILES for 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran is Clc1ccc(-c2coc3c(Br)cccc23)cc1Cl.
What is the InChIKey of 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran?
The InChIKey is MZNPTWSKOFFYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2O/c15-11-3-1-2-9-10(7-18-14(9)11)8-4-5-12(16)13(17)6-8/h1-7H.
What are the key properties of 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran?
7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran has a molecular weight of 342.02 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(3,4-dichlorophenyl)-1-benzofuran is sourced from PubChem (CID 21447344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).