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

C17H18O5 — CID 3738735

IUPAC3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
SMILESCOc1ccccc1OCCOc1ccc(C=O)cc1OC
InChIInChI=1S/C17H18O5/c1-19-14-5-3-4-6-15(14)21-9-10-22-16-8-7-13(12-18)11-17(16)20-2/h3-8,11-12H,9-10H2,1-2H3
InChIKeyCHPOJQADEAOEJZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.97
Rot. Bonds8

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

3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde (PubChem CID 3738735) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
PubChem CID3738735
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
SMILESCOc1ccccc1OCCOc1ccc(C=O)cc1OC
InChIInChI=1S/C17H18O5/c1-19-14-5-3-4-6-15(14)21-9-10-22-16-8-7-13(12-18)11-17(16)20-2/h3-8,11-12H,9-10H2,1-2H3
InChIKeyCHPOJQADEAOEJZ-UHFFFAOYSA-N
XLogP2.97
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.97
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'}

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Related Compounds

4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
2-[3-(4-formyl-2-methoxyphenoxy)propoxy]benzoate
CID 2292072
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
4-methoxy-3-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 60666587
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2899329
4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387
3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22684618

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde (CID 3738735) is 3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde is COc1ccccc1OCCOc1ccc(C=O)cc1OC.
What is the InChIKey of 3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
The InChIKey is CHPOJQADEAOEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-14-5-3-4-6-15(14)21-9-10-22-16-8-7-13(12-18)11-17(16)20-2/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde has a molecular weight of 302.33 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 3738735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).