2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde

C21H20O3 — CID 20993434

IUPAC2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde
SMILESCCc1ccc(OCCOc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C21H20O3/c1-2-16-7-10-18(11-8-16)23-13-14-24-21-12-9-17-5-3-4-6-19(17)20(21)15-22/h3-12,15H,2,13-14H2,1H3
InChIKeyPEIYWLSRMJJJLN-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.67
Rot. Bonds7

About 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde

2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde (PubChem CID 20993434) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde
PubChem CID20993434
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde
SMILESCCc1ccc(OCCOc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C21H20O3/c1-2-16-7-10-18(11-8-16)23-13-14-24-21-12-9-17-5-3-4-6-19(17)20(21)15-22/h3-12,15H,2,13-14H2,1H3
InChIKeyPEIYWLSRMJJJLN-UHFFFAOYSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.67
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 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde 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

2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
2-[2-(2-phenylphenoxy)ethoxy]naphthalene-1-carbaldehyde
CID 22687128
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
(1-formylnaphthalen-2-yl) 4-methoxybenzoate
CID 4778907
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
CID 54794930

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde (CID 20993434) is 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde is CCc1ccc(OCCOc2ccc3ccccc3c2C=O)cc1.
What is the InChIKey of 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde?
The InChIKey is PEIYWLSRMJJJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-2-16-7-10-18(11-8-16)23-13-14-24-21-12-9-17-5-3-4-6-19(17)20(21)15-22/h3-12,15H,2,13-14H2,1H3.
What are the key properties of 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde?
2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde has a molecular weight of 320.39 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenoxy)ethoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 20993434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).