3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde

C23H28O8 — CID 142588190

IUPAC3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde
SMILESCCOCOc1c(OC)cc(C=O)cc1-c1cc(C=O)cc(OC)c1OCCCOC
InChIInChI=1S/C23H28O8/c1-5-29-15-31-23-19(10-17(14-25)12-21(23)28-4)18-9-16(13-24)11-20(27-3)22(18)30-8-6-7-26-2/h9-14H,5-8,15H2,1-4H3
InChIKeyWXGQCHCEXKKARL-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.78
Rot. Bonds14

About 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde

3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde (PubChem CID 142588190) has the molecular formula C23H28O8 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde.

Molecular Properties

Compound Name3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde
PubChem CID142588190
Molecular FormulaC23H28O8
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Name3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde
SMILESCCOCOc1c(OC)cc(C=O)cc1-c1cc(C=O)cc(OC)c1OCCCOC
InChIInChI=1S/C23H28O8/c1-5-29-15-31-23-19(10-17(14-25)12-21(23)28-4)18-9-16(13-24)11-20(27-3)22(18)30-8-6-7-26-2/h9-14H,5-8,15H2,1-4H3
InChIKeyWXGQCHCEXKKARL-UHFFFAOYSA-N
XLogP3.78
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)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-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
CID 87769001
CID 87769001
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
CID 43516597
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
3,5-dibromo-4-[3-(2-methoxyethoxy)propoxy]benzaldehyde
CID 107738282

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde?
The IUPAC name of 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde (CID 142588190) is 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde.
What is the SMILES notation for 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde?
The canonical SMILES for 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde is CCOCOc1c(OC)cc(C=O)cc1-c1cc(C=O)cc(OC)c1OCCCOC.
What is the InChIKey of 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde?
The InChIKey is WXGQCHCEXKKARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O8/c1-5-29-15-31-23-19(10-17(14-25)12-21(23)28-4)18-9-16(13-24)11-20(27-3)22(18)30-8-6-7-26-2/h9-14H,5-8,15H2,1-4H3.
What are the key properties of 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde?
3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde has a molecular weight of 432.47 g/mol, XLogP of 3.78, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethoxymethoxy)-5-formyl-3-methoxyphenyl]-5-methoxy-4-(3-methoxypropoxy)benzaldehyde is sourced from PubChem (CID 142588190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).