3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde

C19H22O4 — CID 2219731

IUPAC3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCCOc1ccc(C)cc1
InChIInChI=1S/C19H22O4/c1-3-21-19-13-16(14-20)7-10-18(19)23-12-4-11-22-17-8-5-15(2)6-9-17/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyQOYRTWVVMPHHAR-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.05
Rot. Bonds9

About 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde

3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde (PubChem CID 2219731) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
PubChem CID2219731
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCCCOc1ccc(C)cc1
InChIInChI=1S/C19H22O4/c1-3-21-19-13-16(14-20)7-10-18(19)23-12-4-11-22-17-8-5-15(2)6-9-17/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyQOYRTWVVMPHHAR-UHFFFAOYSA-N
XLogP4.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]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-[3-(4-chlorophenoxy)propoxy]-3-ethoxybenzaldehyde
CID 2219732
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2284376
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195
(E)-2-cyano-3-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 6245005
2-cyano-3-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 5001447
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
1-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2286093
4-[3-(3,5-dimethylphenoxy)propoxy]benzaldehyde
CID 2219741

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde (CID 2219731) is 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCCCOc1ccc(C)cc1.
What is the InChIKey of 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde?
The InChIKey is QOYRTWVVMPHHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-21-19-13-16(14-20)7-10-18(19)23-12-4-11-22-17-8-5-15(2)6-9-17/h5-10,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde?
3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde has a molecular weight of 314.38 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde is sourced from PubChem (CID 2219731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).