5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde

C15H12BrClO3 — CID 20988193

IUPAC5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClO3/c16-12-1-6-15(11(9-12)10-18)20-8-7-19-14-4-2-13(17)3-5-14/h1-6,9-10H,7-8H2
InChIKeyPCNSOZHVCLKYAS-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.37
Rot. Bonds6

About 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde

5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde (PubChem CID 20988193) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
PubChem CID20988193
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClO3/c16-12-1-6-15(11(9-12)10-18)20-8-7-19-14-4-2-13(17)3-5-14/h1-6,9-10H,7-8H2
InChIKeyPCNSOZHVCLKYAS-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990708
2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene
CID 59330882
4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
CID 63529195
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104
5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20988288
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]benzaldehyde
CID 20993241
2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27874519
2-(4-bromo-2-formylphenoxy)acetonitrile
CID 3679753
5-bromo-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595326

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde (CID 20988193) is 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde is O=Cc1cc(Br)ccc1OCCOc1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde?
The InChIKey is PCNSOZHVCLKYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c16-12-1-6-15(11(9-12)10-18)20-8-7-19-14-4-2-13(17)3-5-14/h1-6,9-10H,7-8H2.
What are the key properties of 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde?
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde has a molecular weight of 355.62 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 20988193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).