2-(2-ethoxy-3-formylphenyl)propanoic acid

C12H14O4 — CID 134658416

IUPAC2-(2-ethoxy-3-formylphenyl)propanoic acid
SMILESCCOc1c(C=O)cccc1C(C)C(=O)O
InChIInChI=1S/C12H14O4/c1-3-16-11-9(7-13)5-4-6-10(11)8(2)12(14)15/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyWXIVOHHILSALGE-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.09
Rot. Bonds5

About 2-(2-ethoxy-3-formylphenyl)propanoic acid

2-(2-ethoxy-3-formylphenyl)propanoic acid (PubChem CID 134658416) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2-ethoxy-3-formylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethoxy-3-formylphenyl)propanoic acid
PubChem CID134658416
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-(2-ethoxy-3-formylphenyl)propanoic acid
SMILESCCOc1c(C=O)cccc1C(C)C(=O)O
InChIInChI=1S/C12H14O4/c1-3-16-11-9(7-13)5-4-6-10(11)8(2)12(14)15/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyWXIVOHHILSALGE-UHFFFAOYSA-N
XLogP2.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
3-(2-ethoxy-6-formylphenoxy)butanamide
CID 123750049
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
CID 79624513
2-(2-formyl-6-methylphenoxy)butanoic acid
CID 112611069
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43366462
2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
CID 83899428
2-[2-ethoxy-3-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656868
ethyl (2R)-2-(3-formyl-2-methoxyphenoxy)propanoate
CID 95239892
2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 84704413

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-formylphenyl)propanoic acid?
The IUPAC name of 2-(2-ethoxy-3-formylphenyl)propanoic acid (CID 134658416) is 2-(2-ethoxy-3-formylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-ethoxy-3-formylphenyl)propanoic acid?
The canonical SMILES for 2-(2-ethoxy-3-formylphenyl)propanoic acid is CCOc1c(C=O)cccc1C(C)C(=O)O.
What is the InChIKey of 2-(2-ethoxy-3-formylphenyl)propanoic acid?
The InChIKey is WXIVOHHILSALGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-16-11-9(7-13)5-4-6-10(11)8(2)12(14)15/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethoxy-3-formylphenyl)propanoic acid?
2-(2-ethoxy-3-formylphenyl)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-formylphenyl)propanoic acid is sourced from PubChem (CID 134658416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).