2-(4-bromo-3-chlorophenoxy)acetaldehyde

C8H6BrClO2 — CID 130729736

IUPAC2-(4-bromo-3-chlorophenoxy)acetaldehyde
SMILESO=CCOc1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H6BrClO2/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-3,5H,4H2
InChIKeyYGKXDRPKSGNVGP-UHFFFAOYSA-N
MW249.49 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-bromo-3-chlorophenoxy)acetaldehyde

2-(4-bromo-3-chlorophenoxy)acetaldehyde (PubChem CID 130729736) has the molecular formula C8H6BrClO2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenoxy)acetaldehyde
PubChem CID130729736
Molecular FormulaC8H6BrClO2
Molecular Weight249.49 g/mol
Exact Mass247.92
IUPAC Name2-(4-bromo-3-chlorophenoxy)acetaldehyde
SMILESO=CCOc1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H6BrClO2/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-3,5H,4H2
InChIKeyYGKXDRPKSGNVGP-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 52.68
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

2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
2-(4-bromo-3-chlorophenoxy)acetamide
CID 130655715
2-(4-bromo-3-chlorophenoxy)acetonitrile
CID 130608314
1-bromo-2,4-dichlorobenzene;propanal
CID 174560641
4-(4-bromo-3-chlorophenoxy)benzaldehyde
CID 142325397
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
2-naphthalen-2-yloxyacetaldehyde
CID 15670594
3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane
CID 164578565
3-(4-bromo-3-chlorophenoxy)-2,2-dimethylpropan-1-ol
CID 175336330
2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde
CID 62032902
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
2-(3-iodophenoxy)acetaldehyde
CID 54101837

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenoxy)acetaldehyde?
The IUPAC name of 2-(4-bromo-3-chlorophenoxy)acetaldehyde (CID 130729736) is 2-(4-bromo-3-chlorophenoxy)acetaldehyde.
What is the SMILES notation for 2-(4-bromo-3-chlorophenoxy)acetaldehyde?
The canonical SMILES for 2-(4-bromo-3-chlorophenoxy)acetaldehyde is O=CCOc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chlorophenoxy)acetaldehyde?
The InChIKey is YGKXDRPKSGNVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-3,5H,4H2.
What are the key properties of 2-(4-bromo-3-chlorophenoxy)acetaldehyde?
2-(4-bromo-3-chlorophenoxy)acetaldehyde has a molecular weight of 249.49 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenoxy)acetaldehyde is sourced from PubChem (CID 130729736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).