4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde

C17H16O5 — CID 174408807

IUPAC4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1Oc1ccc(C=O)cc1OC
InChIInChI=1S/C17H16O5/c1-3-21-17-9-13(11-19)5-7-15(17)22-14-6-4-12(10-18)8-16(14)20-2/h4-11H,3H2,1-2H3
InChIKeyAAIXOGXOCOTXLI-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.51
Rot. Bonds7

About 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde

4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde (PubChem CID 174408807) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
PubChem CID174408807
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1Oc1ccc(C=O)cc1OC
InChIInChI=1S/C17H16O5/c1-3-21-17-9-13(11-19)5-7-15(17)22-14-6-4-12(10-18)8-16(14)20-2/h4-11H,3H2,1-2H3
InChIKeyAAIXOGXOCOTXLI-UHFFFAOYSA-N
XLogP3.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
[4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate
CID 162660867
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde?
The IUPAC name of 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde (CID 174408807) is 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde is CCOc1cc(C=O)ccc1Oc1ccc(C=O)cc1OC.
What is the InChIKey of 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde?
The InChIKey is AAIXOGXOCOTXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-3-21-17-9-13(11-19)5-7-15(17)22-14-6-4-12(10-18)8-16(14)20-2/h4-11H,3H2,1-2H3.
What are the key properties of 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde?
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde has a molecular weight of 300.31 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 174408807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).