2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene

C13H9BrCl2O — CID 28947283

IUPAC2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
SMILESClCc1ccccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrCl2O/c14-11-7-10(16)5-6-13(11)17-12-4-2-1-3-9(12)8-15/h1-7H,8H2
InChIKeyRKFMOQARKCGARJ-UHFFFAOYSA-N
MW332.02 g/mol
LogP5.63
Rot. Bonds3

About 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene

2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene (PubChem CID 28947283) has the molecular formula C13H9BrCl2O and a molecular weight of 332.02 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
PubChem CID28947283
Molecular FormulaC13H9BrCl2O
Molecular Weight332.02 g/mol
Exact Mass329.92
IUPAC Name2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
SMILESClCc1ccccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C13H9BrCl2O/c14-11-7-10(16)5-6-13(11)17-12-4-2-1-3-9(12)8-15/h1-7H,8H2
InChIKeyRKFMOQARKCGARJ-UHFFFAOYSA-N
XLogP5.63
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 ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
CID 114847129
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
1-bromo-4-chloro-2-(2-ethylphenoxy)benzene
CID 90971991
2-bromo-4-chloro-1-[4-(chloromethyl)phenoxy]benzene
CID 28947286
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
CID 103960517
2-(2-bromo-4-chlorophenoxy)benzenecarbothioamide
CID 28602334
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene?
The IUPAC name of 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene (CID 28947283) is 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene?
The canonical SMILES for 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene is ClCc1ccccc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene?
The InChIKey is RKFMOQARKCGARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2O/c14-11-7-10(16)5-6-13(11)17-12-4-2-1-3-9(12)8-15/h1-7H,8H2.
What are the key properties of 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene?
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene has a molecular weight of 332.02 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene is sourced from PubChem (CID 28947283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).