2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene

C13H9BrCl2O — CID 28825797

IUPAC2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1COc1ccccc1Br
InChIInChI=1S/C13H9BrCl2O/c14-10-4-1-2-7-13(10)17-8-9-11(15)5-3-6-12(9)16/h1-7H,8H2
InChIKeyLPCXUWOFMQVIMU-UHFFFAOYSA-N
MW332.02 g/mol
LogP5.33
Rot. Bonds3

About 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene

2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene (PubChem CID 28825797) has the molecular formula C13H9BrCl2O and a molecular weight of 332.02 g/mol. Its IUPAC name is 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
PubChem CID28825797
Molecular FormulaC13H9BrCl2O
Molecular Weight332.02 g/mol
Exact Mass329.92
IUPAC Name2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1COc1ccccc1Br
InChIInChI=1S/C13H9BrCl2O/c14-10-4-1-2-7-13(10)17-8-9-11(15)5-3-6-12(9)16/h1-7H,8H2
InChIKeyLPCXUWOFMQVIMU-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.02
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene 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 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene?
The IUPAC name of 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene (CID 28825797) is 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene?
The canonical SMILES for 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene is Clc1cccc(Cl)c1COc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene?
The InChIKey is LPCXUWOFMQVIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2O/c14-10-4-1-2-7-13(10)17-8-9-11(15)5-3-6-12(9)16/h1-7H,8H2.
What are the key properties of 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene?
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene has a molecular weight of 332.02 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene is sourced from PubChem (CID 28825797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).