3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde

C14H20O5 — CID 103179915

IUPAC3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
SMILESCOCCCOCCOc1ccc(C=O)cc1OC
InChIInChI=1S/C14H20O5/c1-16-6-3-7-18-8-9-19-13-5-4-12(11-15)10-14(13)17-2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyJRAVQGFHIHHPLL-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.94
Rot. Bonds10

About 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde

3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde (PubChem CID 103179915) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
PubChem CID103179915
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
SMILESCOCCCOCCOc1ccc(C=O)cc1OC
InChIInChI=1S/C14H20O5/c1-16-6-3-7-18-8-9-19-13-5-4-12(11-15)10-14(13)17-2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyJRAVQGFHIHHPLL-UHFFFAOYSA-N
XLogP1.94
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]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-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2284376
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2264220
4-methoxy-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490686
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352
4-(chloromethyl)-2-methoxy-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180693
4-[3-(2-iodo-4-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2282969

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde (CID 103179915) is 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde is COCCCOCCOc1ccc(C=O)cc1OC.
What is the InChIKey of 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde?
The InChIKey is JRAVQGFHIHHPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-16-6-3-7-18-8-9-19-13-5-4-12(11-15)10-14(13)17-2/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde?
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde has a molecular weight of 268.31 g/mol, XLogP of 1.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 103179915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).