4-bromo-2-chloro-1-cyclopropylbenzene

C9H8BrCl — CID 66521449

IUPAC4-bromo-2-chloro-1-cyclopropylbenzene
SMILESClc1cc(Br)ccc1C1CC1
InChIInChI=1S/C9H8BrCl/c10-7-3-4-8(6-1-2-6)9(11)5-7/h3-6H,1-2H2
InChIKeyVLEPDFYZOPLKJS-UHFFFAOYSA-N
MW231.52 g/mol
LogP3.98
Rot. Bonds1

About 4-bromo-2-chloro-1-cyclopropylbenzene

4-bromo-2-chloro-1-cyclopropylbenzene (PubChem CID 66521449) has the molecular formula C9H8BrCl and a molecular weight of 231.52 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-cyclopropylbenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-cyclopropylbenzene
PubChem CID66521449
Molecular FormulaC9H8BrCl
Molecular Weight231.52 g/mol
Exact Mass229.95
IUPAC Name4-bromo-2-chloro-1-cyclopropylbenzene
SMILESClc1cc(Br)ccc1C1CC1
InChIInChI=1S/C9H8BrCl/c10-7-3-4-8(6-1-2-6)9(11)5-7/h3-6H,1-2H2
InChIKeyVLEPDFYZOPLKJS-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-bromo-2-chloro-1-cyclopropylbenzene 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-Bromo-4-chloro-1-(1-methylethyl)benzene
CID 67988282
4-Bromo-2-chlorotoluene
CID 2735554
2-Bromo-2'-chloro-1,1'-biphenyl
CID 13614018
4-Bromo-2-chloro-1-ethenylbenzene
CID 57842713
4-Bromo-4'-chloro-1,1'-biphenyl
CID 2756876
1-Bromo-2-chloro-4-(propan-2-yl)benzene
CID 20739733
4-Bromo-1-(bromomethyl)-2-chlorobenzene
CID 21914486
4-Bromo-2-chloro-1-(chloromethyl)benzene
CID 22337865
5-Bromo-2-chloroisopropylbenzene
CID 50997869
4-Bromo-2-chloro-1-ethylbenzene
CID 53632914
(4-Bromo-2-chlorophenyl)acetonitrile
CID 58762522
4-Bromo-2-chloro-1-(propan-2-yl)benzene
CID 59596452

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-cyclopropylbenzene?
The IUPAC name of 4-bromo-2-chloro-1-cyclopropylbenzene (CID 66521449) is 4-bromo-2-chloro-1-cyclopropylbenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-cyclopropylbenzene?
The canonical SMILES for 4-bromo-2-chloro-1-cyclopropylbenzene is Clc1cc(Br)ccc1C1CC1.
What is the InChIKey of 4-bromo-2-chloro-1-cyclopropylbenzene?
The InChIKey is VLEPDFYZOPLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl/c10-7-3-4-8(6-1-2-6)9(11)5-7/h3-6H,1-2H2.
What are the key properties of 4-bromo-2-chloro-1-cyclopropylbenzene?
4-bromo-2-chloro-1-cyclopropylbenzene has a molecular weight of 231.52 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-cyclopropylbenzene is sourced from PubChem (CID 66521449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).