3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid

C14H18O5 — CID 134644738

IUPAC3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid
SMILESCCOC(=O)c1cccc(OCC)c1CCC(=O)O
InChIInChI=1S/C14H18O5/c1-3-18-12-7-5-6-11(14(17)19-4-2)10(12)8-9-13(15)16/h5-7H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeyPPJDUFJGLQEBCK-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.28
Rot. Bonds7

About 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid

3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid (PubChem CID 134644738) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid
PubChem CID134644738
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid
SMILESCCOC(=O)c1cccc(OCC)c1CCC(=O)O
InChIInChI=1S/C14H18O5/c1-3-18-12-7-5-6-11(14(17)19-4-2)10(12)8-9-13(15)16/h5-7H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeyPPJDUFJGLQEBCK-UHFFFAOYSA-N
XLogP2.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-6-ethoxyphenyl)propanoic acid
CID 84676808
4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
CID 117321755
ethyl 3-(difluoromethoxy)-2-(3-ethoxy-3-oxopropyl)benzoate
CID 134641337
3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
3-(3-ethoxycarbonyl-2-methylsulfanylphenyl)propanoic acid
CID 134642602
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
3-(3-ethoxycarbonyl-2-nitrophenyl)propanoic acid
CID 134644332
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
3-[3-ethoxycarbonyl-2-(trifluoromethoxy)phenyl]propanoic acid
CID 134640979
2-amino-3-ethoxybenzamide
CID 70121071
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
ethyl 2-ethyl-3-(2-phenylethyl)benzoate
CID 118039726

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid?
The IUPAC name of 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid (CID 134644738) is 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid?
The canonical SMILES for 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid is CCOC(=O)c1cccc(OCC)c1CCC(=O)O.
What is the InChIKey of 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid?
The InChIKey is PPJDUFJGLQEBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-18-12-7-5-6-11(14(17)19-4-2)10(12)8-9-13(15)16/h5-7H,3-4,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid?
3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid is sourced from PubChem (CID 134644738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).