3-(2-ethoxy-4-formylphenoxy)propanoic acid

C12H14O5 — CID 28701161

IUPAC3-(2-ethoxy-4-formylphenoxy)propanoic acid
SMILESCCOc1cc(C=O)ccc1OCCC(=O)O
InChIInChI=1S/C12H14O5/c1-2-16-11-7-9(8-13)3-4-10(11)17-6-5-12(14)15/h3-4,7-8H,2,5-6H2,1H3,(H,14,15)
InChIKeyWFVJMUNGQVMADL-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.75
Rot. Bonds7

About 3-(2-ethoxy-4-formylphenoxy)propanoic acid

3-(2-ethoxy-4-formylphenoxy)propanoic acid (PubChem CID 28701161) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(2-ethoxy-4-formylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-ethoxy-4-formylphenoxy)propanoic acid
PubChem CID28701161
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name3-(2-ethoxy-4-formylphenoxy)propanoic acid
SMILESCCOc1cc(C=O)ccc1OCCC(=O)O
InChIInChI=1S/C12H14O5/c1-2-16-11-7-9(8-13)3-4-10(11)17-6-5-12(14)15/h3-4,7-8H,2,5-6H2,1H3,(H,14,15)
InChIKeyWFVJMUNGQVMADL-UHFFFAOYSA-N
XLogP1.75
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
3-ethoxy-4-(4-methylhex-3-enoxy)benzaldehyde
CID 168878563
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
2-(2-ethoxy-4-formylphenoxy)butanoic acid
CID 64662356
3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
CID 2219731
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
4-[3-(4-chlorophenoxy)propoxy]-3-ethoxybenzaldehyde
CID 2219732
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-formylphenoxy)propanoic acid?
The IUPAC name of 3-(2-ethoxy-4-formylphenoxy)propanoic acid (CID 28701161) is 3-(2-ethoxy-4-formylphenoxy)propanoic acid.
What is the SMILES notation for 3-(2-ethoxy-4-formylphenoxy)propanoic acid?
The canonical SMILES for 3-(2-ethoxy-4-formylphenoxy)propanoic acid is CCOc1cc(C=O)ccc1OCCC(=O)O.
What is the InChIKey of 3-(2-ethoxy-4-formylphenoxy)propanoic acid?
The InChIKey is WFVJMUNGQVMADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-2-16-11-7-9(8-13)3-4-10(11)17-6-5-12(14)15/h3-4,7-8H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 3-(2-ethoxy-4-formylphenoxy)propanoic acid?
3-(2-ethoxy-4-formylphenoxy)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-formylphenoxy)propanoic acid is sourced from PubChem (CID 28701161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).