3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde

C20H22O4 — CID 2229149

IUPAC3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde
SMILESC=CCc1ccccc1OCCOc1ccc(C=O)cc1OCC
InChIInChI=1S/C20H22O4/c1-3-7-17-8-5-6-9-18(17)23-12-13-24-19-11-10-16(15-21)14-20(19)22-4-2/h3,5-6,8-11,14-15H,1,4,7,12-13H2,2H3
InChIKeyHEYZTFNBYZJOFJ-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.08
Rot. Bonds10

About 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde

3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde (PubChem CID 2229149) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde
PubChem CID2229149
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde
SMILESC=CCc1ccccc1OCCOc1ccc(C=O)cc1OCC
InChIInChI=1S/C20H22O4/c1-3-7-17-8-5-6-9-18(17)23-12-13-24-19-11-10-16(15-21)14-20(19)22-4-2/h3,5-6,8-11,14-15H,1,4,7,12-13H2,2H3
InChIKeyHEYZTFNBYZJOFJ-UHFFFAOYSA-N
XLogP4.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.08
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-[3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 35212711
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
2-[[3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2888902
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
(E)-2-(2,3-dihydroindole-1-carbonyl)-3-[3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]prop-2-enenitrile
CID 6138140
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
2-cyano-3-[3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 171333277
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde (CID 2229149) is 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde is C=CCc1ccccc1OCCOc1ccc(C=O)cc1OCC.
What is the InChIKey of 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde?
The InChIKey is HEYZTFNBYZJOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-3-7-17-8-5-6-9-18(17)23-12-13-24-19-11-10-16(15-21)14-20(19)22-4-2/h3,5-6,8-11,14-15H,1,4,7,12-13H2,2H3.
What are the key properties of 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde?
3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde has a molecular weight of 326.39 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 2229149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).