4-(2-bromoethoxy)-3-chlorobenzaldehyde

C9H8BrClO2 — CID 71756025

IUPAC4-(2-bromoethoxy)-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCCBr)c(Cl)c1
InChIInChI=1S/C9H8BrClO2/c10-3-4-13-9-2-1-7(6-12)5-8(9)11/h1-2,5-6H,3-4H2
InChIKeyCGQIAJMBRLPDTP-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.93
Rot. Bonds4

About 4-(2-bromoethoxy)-3-chlorobenzaldehyde

4-(2-bromoethoxy)-3-chlorobenzaldehyde (PubChem CID 71756025) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-(2-bromoethoxy)-3-chlorobenzaldehyde
PubChem CID71756025
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name4-(2-bromoethoxy)-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCCBr)c(Cl)c1
InChIInChI=1S/C9H8BrClO2/c10-3-4-13-9-2-1-7(6-12)5-8(9)11/h1-2,5-6H,3-4H2
InChIKeyCGQIAJMBRLPDTP-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(10-bromodecoxy)-3-chlorobenzaldehyde
CID 134562516
4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
CID 63529195
3-chloro-4-(2-methylsulfanylethoxy)benzaldehyde
CID 115897536
4-(2-chloro-4-formylphenoxy)-N-methylbutanamide
CID 63890999
3-chloro-4-[3-(2-hydroxypropan-2-yloxy)propoxy]benzaldehyde
CID 169132785
4-but-2-enoxy-3-chlorobenzaldehyde
CID 76914545
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
5-(2-chloro-4-formylphenoxy)pentanehydrazide
CID 55214580
3-chloro-4-(4-oxo-4-phenylbutoxy)benzaldehyde
CID 62032561
4-[[1-(bromomethyl)cyclohexyl]methoxy]-3-chlorobenzaldehyde
CID 81495033
3-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
CID 71425725
4-[3-(4-bromo-2-chlorophenoxy)propoxy]-3-methoxybenzaldehyde
CID 2283415

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-3-chlorobenzaldehyde?
The IUPAC name of 4-(2-bromoethoxy)-3-chlorobenzaldehyde (CID 71756025) is 4-(2-bromoethoxy)-3-chlorobenzaldehyde.
What is the SMILES notation for 4-(2-bromoethoxy)-3-chlorobenzaldehyde?
The canonical SMILES for 4-(2-bromoethoxy)-3-chlorobenzaldehyde is O=Cc1ccc(OCCBr)c(Cl)c1.
What is the InChIKey of 4-(2-bromoethoxy)-3-chlorobenzaldehyde?
The InChIKey is CGQIAJMBRLPDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c10-3-4-13-9-2-1-7(6-12)5-8(9)11/h1-2,5-6H,3-4H2.
What are the key properties of 4-(2-bromoethoxy)-3-chlorobenzaldehyde?
4-(2-bromoethoxy)-3-chlorobenzaldehyde has a molecular weight of 263.52 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-3-chlorobenzaldehyde is sourced from PubChem (CID 71756025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).