4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde

C17H18O3 — CID 145127108

IUPAC4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde
SMILESCCOCCOc1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-2-19-11-12-20-17-9-7-16(8-10-17)15-5-3-14(13-18)4-6-15/h3-10,13H,2,11-12H2,1H3
InChIKeyFQBOWRFLDUUYID-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.58
Rot. Bonds7

About 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde

4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde (PubChem CID 145127108) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde
PubChem CID145127108
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde
SMILESCCOCCOc1ccc(-c2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-2-19-11-12-20-17-9-7-16(8-10-17)15-5-3-14(13-18)4-6-15/h3-10,13H,2,11-12H2,1H3
InChIKeyFQBOWRFLDUUYID-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.58
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-(2-ethoxyethoxy)phenyl]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

benzene-1,3-diol;4-(2-ethoxyethoxy)benzaldehyde
CID 173298642
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
CID 90249026
3-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(methoxymethoxy)benzaldehyde
CID 87448764
4-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]benzenesulfonate
CID 20595015
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-icosoxybenzaldehyde
CID 23127488
7-[4-(2-ethoxyethoxy)phenyl]-2,2-dimethyl-3H-1-benzofuran-5-carbaldehyde
CID 59434117
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
4-(2-phosphanylethoxy)benzaldehyde
CID 143962429
4-(2-fluoroethoxy)benzaldehyde
CID 15058649

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde?
The IUPAC name of 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde (CID 145127108) is 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde?
The canonical SMILES for 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde is CCOCCOc1ccc(-c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde?
The InChIKey is FQBOWRFLDUUYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-19-11-12-20-17-9-7-16(8-10-17)15-5-3-14(13-18)4-6-15/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde?
4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 145127108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).