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

C13H7BrCl2O2 — CID 114844783

IUPAC2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H7BrCl2O2/c14-9-1-3-13(11(16)6-9)18-12-4-2-10(15)5-8(12)7-17/h1-7H
InChIKeyIAXWVSSZFNUGTE-UHFFFAOYSA-N
MW346.01 g/mol
LogP5.36
Rot. Bonds3

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

2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde (PubChem CID 114844783) has the molecular formula C13H7BrCl2O2 and a molecular weight of 346.01 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
PubChem CID114844783
Molecular FormulaC13H7BrCl2O2
Molecular Weight346.01 g/mol
Exact Mass343.90
IUPAC Name2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H7BrCl2O2/c14-9-1-3-13(11(16)6-9)18-12-4-2-10(15)5-8(12)7-17/h1-7H
InChIKeyIAXWVSSZFNUGTE-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
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
5-chloro-2-(4-sulfanylphenoxy)benzaldehyde
CID 89176550
4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine
CID 155316701
2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde
CID 114844809
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
5-chloro-2-naphthalen-1-yloxybenzaldehyde
CID 114844762
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
CID 114381646

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde (CID 114844783) is 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde is O=Cc1cc(Cl)ccc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde?
The InChIKey is IAXWVSSZFNUGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2O2/c14-9-1-3-13(11(16)6-9)18-12-4-2-10(15)5-8(12)7-17/h1-7H.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde?
2-(4-bromo-2-chlorophenoxy)-5-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-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde is sourced from PubChem (CID 114844783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).