4-(10-bromodecoxy)-3-chlorobenzaldehyde

C17H24BrClO2 — CID 134562516

IUPAC4-(10-bromodecoxy)-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCBr)c(Cl)c1
InChIInChI=1S/C17H24BrClO2/c18-11-7-5-3-1-2-4-6-8-12-21-17-10-9-15(14-20)13-16(17)19/h9-10,13-14H,1-8,11-12H2
InChIKeyPDVIRTWZVISZAJ-UHFFFAOYSA-N
MW375.73 g/mol
LogP6.05
Rot. Bonds12

About 4-(10-bromodecoxy)-3-chlorobenzaldehyde

4-(10-bromodecoxy)-3-chlorobenzaldehyde (PubChem CID 134562516) has the molecular formula C17H24BrClO2 and a molecular weight of 375.73 g/mol. Its IUPAC name is 4-(10-bromodecoxy)-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-(10-bromodecoxy)-3-chlorobenzaldehyde
PubChem CID134562516
Molecular FormulaC17H24BrClO2
Molecular Weight375.73 g/mol
Exact Mass374.06
IUPAC Name4-(10-bromodecoxy)-3-chlorobenzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCBr)c(Cl)c1
InChIInChI=1S/C17H24BrClO2/c18-11-7-5-3-1-2-4-6-8-12-21-17-10-9-15(14-20)13-16(17)19/h9-10,13-14H,1-8,11-12H2
InChIKeyPDVIRTWZVISZAJ-UHFFFAOYSA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.73
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromoethoxy)-3-chlorobenzaldehyde
CID 71756025
tert-butyl 6-(2-chloro-4-formylphenoxy)hexanoate
CID 134562434
4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
CID 63529195
5-(2-chloro-4-formylphenoxy)pentanehydrazide
CID 55214580
3-chloro-4-(2-methylsulfanylethoxy)benzaldehyde
CID 115897536
3-chloro-4-(4-oxo-4-phenylbutoxy)benzaldehyde
CID 62032561
4-(2-chloro-4-formylphenoxy)-N-methylbutanamide
CID 63890999
3-chloro-4-[3-(2-hydroxypropan-2-yloxy)propoxy]benzaldehyde
CID 169132785
4-(10-bromodecoxy)benzaldehyde
CID 71345265
3-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
CID 71425725
4-[3-(4-bromo-2-chlorophenoxy)propoxy]-3-methoxybenzaldehyde
CID 2283415
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187

Frequently Asked Questions

What is the IUPAC name of 4-(10-bromodecoxy)-3-chlorobenzaldehyde?
The IUPAC name of 4-(10-bromodecoxy)-3-chlorobenzaldehyde (CID 134562516) is 4-(10-bromodecoxy)-3-chlorobenzaldehyde.
What is the SMILES notation for 4-(10-bromodecoxy)-3-chlorobenzaldehyde?
The canonical SMILES for 4-(10-bromodecoxy)-3-chlorobenzaldehyde is O=Cc1ccc(OCCCCCCCCCCBr)c(Cl)c1.
What is the InChIKey of 4-(10-bromodecoxy)-3-chlorobenzaldehyde?
The InChIKey is PDVIRTWZVISZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrClO2/c18-11-7-5-3-1-2-4-6-8-12-21-17-10-9-15(14-20)13-16(17)19/h9-10,13-14H,1-8,11-12H2.
What are the key properties of 4-(10-bromodecoxy)-3-chlorobenzaldehyde?
4-(10-bromodecoxy)-3-chlorobenzaldehyde has a molecular weight of 375.73 g/mol, XLogP of 6.05, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-bromodecoxy)-3-chlorobenzaldehyde is sourced from PubChem (CID 134562516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).