3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde

C23H22O4 — CID 22237579

IUPAC3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde
SMILESCOCCOCOc1ccccc1-c1cc(C=O)cc(-c2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-25-11-12-26-17-27-23-10-6-5-9-22(23)21-14-18(16-24)13-20(15-21)19-7-3-2-4-8-19/h2-10,13-16H,11-12,17H2,1H3
InChIKeyVYKQKZBTAZCCRT-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.83
Rot. Bonds9

About 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde

3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde (PubChem CID 22237579) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde
PubChem CID22237579
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde
SMILESCOCCOCOc1ccccc1-c1cc(C=O)cc(-c2ccccc2)c1
InChIInChI=1S/C23H22O4/c1-25-11-12-26-17-27-23-10-6-5-9-22(23)21-14-18(16-24)13-20(15-21)19-7-3-2-4-8-19/h2-10,13-16H,11-12,17H2,1H3
InChIKeyVYKQKZBTAZCCRT-UHFFFAOYSA-N
XLogP4.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.83
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde 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-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649767
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
methyl 3-formyl-5-phenylbenzoate
CID 88561174
3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2298387
[3-[3-formyl-2-(2-methoxyethoxymethoxy)phenyl]-4-(2-methoxyethoxymethoxy)phenyl]methylcarbamic acid
CID 87637475
1-(2-methoxyethoxymethoxy)-2-propan-2-ylbenzene
CID 57457861

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde?
The IUPAC name of 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde (CID 22237579) is 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde.
What is the SMILES notation for 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde?
The canonical SMILES for 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde is COCCOCOc1ccccc1-c1cc(C=O)cc(-c2ccccc2)c1.
What is the InChIKey of 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde?
The InChIKey is VYKQKZBTAZCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-25-11-12-26-17-27-23-10-6-5-9-22(23)21-14-18(16-24)13-20(15-21)19-7-3-2-4-8-19/h2-10,13-16H,11-12,17H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde?
3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde has a molecular weight of 362.43 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxymethoxy)phenyl]-5-phenylbenzaldehyde is sourced from PubChem (CID 22237579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).