4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde

C15H10BrClO3 — CID 62033108

IUPAC4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCC(=O)c2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H10BrClO3/c16-12-3-1-2-11(7-12)14(19)9-20-15-5-4-10(8-18)6-13(15)17/h1-8H,9H2
InChIKeyQXSLPXKIRBYELG-UHFFFAOYSA-N
MW353.60 g/mol
LogP4.18
Rot. Bonds5

About 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde

4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde (PubChem CID 62033108) has the molecular formula C15H10BrClO3 and a molecular weight of 353.60 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde
PubChem CID62033108
Molecular FormulaC15H10BrClO3
Molecular Weight353.60 g/mol
Exact Mass351.95
IUPAC Name4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCC(=O)c2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H10BrClO3/c16-12-3-1-2-11(7-12)14(19)9-20-15-5-4-10(8-18)6-13(15)17/h1-8H,9H2
InChIKeyQXSLPXKIRBYELG-UHFFFAOYSA-N
XLogP4.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone
CID 7873660
1-(3-bromophenyl)-2-[(2-chloro-3-pyridinyl)oxy]ethanone
CID 166021386
4-[2-(2-chloro-4-formylphenoxy)acetyl]benzonitrile
CID 62032745
3-chloro-4-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzaldehyde
CID 62033834
3-chloro-4-(2-oxobutoxy)benzaldehyde
CID 62039792
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
3-chloro-4-(2-oxopentoxy)benzaldehyde
CID 62044503
3-chloro-4-(4-oxo-4-phenylbutoxy)benzaldehyde
CID 62032561
4-(3-bromophenoxy)-3-chlorobenzaldehyde
CID 81152635
3-[(2-chloro-4-formylphenoxy)methyl]benzoic acid
CID 883624

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde?
The IUPAC name of 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde (CID 62033108) is 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde.
What is the SMILES notation for 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde?
The canonical SMILES for 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde is O=Cc1ccc(OCC(=O)c2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde?
The InChIKey is QXSLPXKIRBYELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClO3/c16-12-3-1-2-11(7-12)14(19)9-20-15-5-4-10(8-18)6-13(15)17/h1-8H,9H2.
What are the key properties of 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde?
4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde has a molecular weight of 353.60 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde is sourced from PubChem (CID 62033108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).