3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde

C24H28O6 — CID 168878587

IUPAC3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCC=CCCOc1ccc(C=O)cc1OCC
InChIInChI=1S/C24H28O6/c1-3-27-23-15-19(17-25)9-11-21(23)29-13-7-5-6-8-14-30-22-12-10-20(18-26)16-24(22)28-4-2/h5-6,9-12,15-18H,3-4,7-8,13-14H2,1-2H3
InChIKeyPXGUHQSSFSEVHS-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.90
Rot. Bonds14

About 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde

3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde (PubChem CID 168878587) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
PubChem CID168878587
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCC=CCCOc1ccc(C=O)cc1OCC
InChIInChI=1S/C24H28O6/c1-3-27-23-15-19(17-25)9-11-21(23)29-13-7-5-6-8-14-30-22-12-10-20(18-26)16-24(22)28-4-2/h5-6,9-12,15-18H,3-4,7-8,13-14H2,1-2H3
InChIKeyPXGUHQSSFSEVHS-UHFFFAOYSA-N
XLogP4.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]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

3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde
CID 168878563
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
CID 2219731
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
4-[3-(4-chlorophenoxy)propoxy]-3-ethoxybenzaldehyde
CID 2219732
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195
3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde
CID 2229149

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde (CID 168878587) is 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCCC=CCCOc1ccc(C=O)cc1OCC.
What is the InChIKey of 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde?
The InChIKey is PXGUHQSSFSEVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O6/c1-3-27-23-15-19(17-25)9-11-21(23)29-13-7-5-6-8-14-30-22-12-10-20(18-26)16-24(22)28-4-2/h5-6,9-12,15-18H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde?
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde has a molecular weight of 412.48 g/mol, XLogP of 4.90, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde is sourced from PubChem (CID 168878587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).