3-bromo-5-chloro-1-benzofuran

C8H4BrClO — CID 13184479

IUPAC3-bromo-5-chloro-1-benzofuran
SMILESClc1ccc2occ(Br)c2c1
InChIInChI=1S/C8H4BrClO/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H
InChIKeyCOGXMMSJMPDDBM-UHFFFAOYSA-N
MW231.48 g/mol
LogP3.85
Rot. Bonds

About 3-bromo-5-chloro-1-benzofuran

3-bromo-5-chloro-1-benzofuran (PubChem CID 13184479) has the molecular formula C8H4BrClO and a molecular weight of 231.48 g/mol. Its IUPAC name is 3-bromo-5-chloro-1-benzofuran.

Molecular Properties

Compound Name3-bromo-5-chloro-1-benzofuran
PubChem CID13184479
Molecular FormulaC8H4BrClO
Molecular Weight231.48 g/mol
Exact Mass229.91
IUPAC Name3-bromo-5-chloro-1-benzofuran
SMILESClc1ccc2occ(Br)c2c1
InChIInChI=1S/C8H4BrClO/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H
InChIKeyCOGXMMSJMPDDBM-UHFFFAOYSA-N
XLogP3.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-5-chloro-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

Related Compounds

2-Chlorodibenzofuran
CID 32781
2,8-Dichlorodibenzofuran
CID 21510
3-Bromo-1-benzofuran
CID 640589
2-Bromo-1-benzofuran
CID 2776264
5-Chloro-1-benzofuran
CID 90013
Benzofuran, 5-bromo-
CID 90015
3,5-Dibromobenzo[b]furan
CID 2795572
5-Chloro-1-benzofuran-2-carbaldehyde
CID 13400170
4-Bromo-1-benzofuran
CID 15158721
(E)-3-(5-bromofuran-2-yl)-1-(3-chlorophenyl)prop-2-en-1-one
CID 71818859
3-Phenyl-5-chloro benzofuran
CID 615041
7-Bromo-1-benzofuran
CID 113628

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-1-benzofuran?
The IUPAC name of 3-bromo-5-chloro-1-benzofuran (CID 13184479) is 3-bromo-5-chloro-1-benzofuran.
What is the SMILES notation for 3-bromo-5-chloro-1-benzofuran?
The canonical SMILES for 3-bromo-5-chloro-1-benzofuran is Clc1ccc2occ(Br)c2c1.
What is the InChIKey of 3-bromo-5-chloro-1-benzofuran?
The InChIKey is COGXMMSJMPDDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClO/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H.
What are the key properties of 3-bromo-5-chloro-1-benzofuran?
3-bromo-5-chloro-1-benzofuran has a molecular weight of 231.48 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-1-benzofuran is sourced from PubChem (CID 13184479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).