4-[4-(4-formylphenoxy)butyl]benzaldehyde

C18H18O3 — CID 87112127

IUPAC4-[4-(4-formylphenoxy)butyl]benzaldehyde
SMILESO=Cc1ccc(CCCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C18H18O3/c19-13-16-6-4-15(5-7-16)3-1-2-12-21-18-10-8-17(14-20)9-11-18/h4-11,13-14H,1-3,12H2
InChIKeyMKHSOMMCSQMLLF-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.71
Rot. Bonds8

About 4-[4-(4-formylphenoxy)butyl]benzaldehyde

4-[4-(4-formylphenoxy)butyl]benzaldehyde (PubChem CID 87112127) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[4-(4-formylphenoxy)butyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(4-formylphenoxy)butyl]benzaldehyde
PubChem CID87112127
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name4-[4-(4-formylphenoxy)butyl]benzaldehyde
SMILESO=Cc1ccc(CCCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C18H18O3/c19-13-16-6-4-15(5-7-16)3-1-2-12-21-18-10-8-17(14-20)9-11-18/h4-11,13-14H,1-3,12H2
InChIKeyMKHSOMMCSQMLLF-UHFFFAOYSA-N
XLogP3.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.71
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'}

Analyze 4-[4-(4-formylphenoxy)butyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
6-(4-phenylbutoxy)naphthalene-2-carbaldehyde
CID 86087627
4-(10-bromodecoxy)benzaldehyde
CID 71345265
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
6-(4-formylphenoxy)hexyl formate
CID 144750186
4-[6-(4-bromophenoxy)hexoxy]benzaldehyde
CID 155015621
4-icosoxybenzaldehyde
CID 23127488
4-(4-hexylphenoxy)benzaldehyde
CID 142415162

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-formylphenoxy)butyl]benzaldehyde?
The IUPAC name of 4-[4-(4-formylphenoxy)butyl]benzaldehyde (CID 87112127) is 4-[4-(4-formylphenoxy)butyl]benzaldehyde.
What is the SMILES notation for 4-[4-(4-formylphenoxy)butyl]benzaldehyde?
The canonical SMILES for 4-[4-(4-formylphenoxy)butyl]benzaldehyde is O=Cc1ccc(CCCCOc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[4-(4-formylphenoxy)butyl]benzaldehyde?
The InChIKey is MKHSOMMCSQMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-13-16-6-4-15(5-7-16)3-1-2-12-21-18-10-8-17(14-20)9-11-18/h4-11,13-14H,1-3,12H2.
What are the key properties of 4-[4-(4-formylphenoxy)butyl]benzaldehyde?
4-[4-(4-formylphenoxy)butyl]benzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-formylphenoxy)butyl]benzaldehyde is sourced from PubChem (CID 87112127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).