4-(10-bromodecoxy)benzaldehyde

C17H25BrO2 — CID 71345265

IUPAC4-(10-bromodecoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCBr)cc1
InChIInChI=1S/C17H25BrO2/c18-13-7-5-3-1-2-4-6-8-14-20-17-11-9-16(15-19)10-12-17/h9-12,15H,1-8,13-14H2
InChIKeyPFKKQMUJZRUCSG-UHFFFAOYSA-N
MW341.29 g/mol
LogP5.39
Rot. Bonds12

About 4-(10-bromodecoxy)benzaldehyde

4-(10-bromodecoxy)benzaldehyde (PubChem CID 71345265) has the molecular formula C17H25BrO2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-(10-bromodecoxy)benzaldehyde.

Molecular Properties

Compound Name4-(10-bromodecoxy)benzaldehyde
PubChem CID71345265
Molecular FormulaC17H25BrO2
Molecular Weight341.29 g/mol
Exact Mass340.10
IUPAC Name4-(10-bromodecoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCBr)cc1
InChIInChI=1S/C17H25BrO2/c18-13-7-5-3-1-2-4-6-8-14-20-17-11-9-16(15-19)10-12-17/h9-12,15H,1-8,13-14H2
InChIKeyPFKKQMUJZRUCSG-UHFFFAOYSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.29
LogP ≤ 55.39
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-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-(4-bromobutoxy)benzaldehyde;4-hydroxybenzaldehyde
CID 162220767
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
10-bromodecan-1-ol;4-hydroxybenzaldehyde;4-(10-hydroxydecoxy)benzaldehyde;tris(phosphanyl)phosphane
CID 157178006
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
6-(4-formylphenoxy)hexyl formate
CID 144750186
4-icosoxybenzaldehyde
CID 23127488
3,5-bis(4-bromobutoxy)benzaldehyde
CID 121004759
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
CID 10253191

Frequently Asked Questions

What is the IUPAC name of 4-(10-bromodecoxy)benzaldehyde?
The IUPAC name of 4-(10-bromodecoxy)benzaldehyde (CID 71345265) is 4-(10-bromodecoxy)benzaldehyde.
What is the SMILES notation for 4-(10-bromodecoxy)benzaldehyde?
The canonical SMILES for 4-(10-bromodecoxy)benzaldehyde is O=Cc1ccc(OCCCCCCCCCCBr)cc1.
What is the InChIKey of 4-(10-bromodecoxy)benzaldehyde?
The InChIKey is PFKKQMUJZRUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO2/c18-13-7-5-3-1-2-4-6-8-14-20-17-11-9-16(15-19)10-12-17/h9-12,15H,1-8,13-14H2.
What are the key properties of 4-(10-bromodecoxy)benzaldehyde?
4-(10-bromodecoxy)benzaldehyde has a molecular weight of 341.29 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-bromodecoxy)benzaldehyde is sourced from PubChem (CID 71345265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).