2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde

C13H7BrCl2O2 — CID 114844928

IUPAC2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C13H7BrCl2O2/c14-9-2-4-11(16)13(5-9)18-12-6-10(15)3-1-8(12)7-17/h1-7H
InChIKeyXTXKRUOANDMMOL-UHFFFAOYSA-N
MW346.01 g/mol
LogP5.36
Rot. Bonds3

About 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde

2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde (PubChem CID 114844928) has the molecular formula C13H7BrCl2O2 and a molecular weight of 346.01 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
PubChem CID114844928
Molecular FormulaC13H7BrCl2O2
Molecular Weight346.01 g/mol
Exact Mass343.90
IUPAC Name2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
SMILESO=Cc1ccc(Cl)cc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C13H7BrCl2O2/c14-9-2-4-11(16)13(5-9)18-12-6-10(15)3-1-8(12)7-17/h1-7H
InChIKeyXTXKRUOANDMMOL-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.01
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde
CID 114042688
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
4-bromo-2-(2,4-dimethylphenoxy)benzaldehyde
CID 43364692
4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
CID 86227851
1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde (CID 114844928) is 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde is O=Cc1ccc(Cl)cc1Oc1cc(Br)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde?
The InChIKey is XTXKRUOANDMMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2O2/c14-9-2-4-11(16)13(5-9)18-12-6-10(15)3-1-8(12)7-17/h1-7H.
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde?
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde has a molecular weight of 346.01 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde is sourced from PubChem (CID 114844928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).