4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde

C15H12BrClO3 — CID 63529195

IUPAC4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCCOc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H12BrClO3/c16-12-2-4-13(5-3-12)19-7-8-20-15-6-1-11(10-18)9-14(15)17/h1-6,9-10H,7-8H2
InChIKeyFJDDERQYPCVDDD-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.37
Rot. Bonds6

About 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde

4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde (PubChem CID 63529195) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
PubChem CID63529195
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCCOc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H12BrClO3/c16-12-2-4-13(5-3-12)19-7-8-20-15-6-1-11(10-18)9-14(15)17/h1-6,9-10H,7-8H2
InChIKeyFJDDERQYPCVDDD-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

4-(2-bromoethoxy)-3-chlorobenzaldehyde
CID 71756025
4-(10-bromodecoxy)-3-chlorobenzaldehyde
CID 134562516
4-[3-(4-bromo-2-chlorophenoxy)propoxy]-3-methoxybenzaldehyde
CID 2283415
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
3-chloro-4-(2-methylsulfanylethoxy)benzaldehyde
CID 115897536
2,2,2-trichloroethyl 6-(2-chloro-4-formylphenoxy)hexane-1-sulfonate;2,2,2-trichloroethyl 6-(4-formylphenoxy)hexane-1-sulfonate
CID 159614610
6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde
CID 80631140
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde
CID 114381649
4-(3-bromophenoxy)-3-chlorobenzaldehyde
CID 81152635
4-(2-chloro-4-formylphenoxy)-N-methylbutanamide
CID 63890999

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde?
The IUPAC name of 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde (CID 63529195) is 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde.
What is the SMILES notation for 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde?
The canonical SMILES for 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde is O=Cc1ccc(OCCOc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde?
The InChIKey is FJDDERQYPCVDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c16-12-2-4-13(5-3-12)19-7-8-20-15-6-1-11(10-18)9-14(15)17/h1-6,9-10H,7-8H2.
What are the key properties of 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde?
4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde 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 4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde is sourced from PubChem (CID 63529195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).