4-[6-(4-bromophenoxy)hexoxy]benzaldehyde

C19H21BrO3 — CID 155015621

IUPAC4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCCCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrO3/c20-17-7-11-19(12-8-17)23-14-4-2-1-3-13-22-18-9-5-16(15-21)6-10-18/h5-12,15H,1-4,13-14H2
InChIKeyPMMROXHIERYMDO-UHFFFAOYSA-N
MW377.28 g/mol
LogP5.28
Rot. Bonds10

About 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde

4-[6-(4-bromophenoxy)hexoxy]benzaldehyde (PubChem CID 155015621) has the molecular formula C19H21BrO3 and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde.

Molecular Properties

Compound Name4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
PubChem CID155015621
Molecular FormulaC19H21BrO3
Molecular Weight377.28 g/mol
Exact Mass376.07
IUPAC Name4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCCCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrO3/c20-17-7-11-19(12-8-17)23-14-4-2-1-3-13-22-18-9-5-16(15-21)6-10-18/h5-12,15H,1-4,13-14H2
InChIKeyPMMROXHIERYMDO-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.28
LogP ≤ 55.28
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-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-(10-bromodecoxy)benzaldehyde
CID 71345265
6-(4-formylphenoxy)hexyl formate
CID 144750186
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-icosoxybenzaldehyde
CID 23127488
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
7-(4-formylphenoxy)heptanoic acid
CID 169448959
ethanol;4-octadecoxybenzaldehyde
CID 158692714
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde?
The IUPAC name of 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde (CID 155015621) is 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde.
What is the SMILES notation for 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde?
The canonical SMILES for 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde is O=Cc1ccc(OCCCCCCOc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde?
The InChIKey is PMMROXHIERYMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO3/c20-17-7-11-19(12-8-17)23-14-4-2-1-3-13-22-18-9-5-16(15-21)6-10-18/h5-12,15H,1-4,13-14H2.
What are the key properties of 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde?
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde has a molecular weight of 377.28 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-bromophenoxy)hexoxy]benzaldehyde is sourced from PubChem (CID 155015621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).