2-[4-(2-carboxyethoxy)phenoxy]propanoic acid

C12H14O6 — CID 69292978

IUPAC2-[4-(2-carboxyethoxy)phenoxy]propanoic acid
SMILESCC(Oc1ccc(OCCC(=O)O)cc1)C(=O)O
InChIInChI=1S/C12H14O6/c1-8(12(15)16)18-10-4-2-9(3-5-10)17-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyJERMEMYNABJGLX-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.39
Rot. Bonds7

About 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid

2-[4-(2-carboxyethoxy)phenoxy]propanoic acid (PubChem CID 69292978) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-carboxyethoxy)phenoxy]propanoic acid
PubChem CID69292978
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name2-[4-(2-carboxyethoxy)phenoxy]propanoic acid
SMILESCC(Oc1ccc(OCCC(=O)O)cc1)C(=O)O
InChIInChI=1S/C12H14O6/c1-8(12(15)16)18-10-4-2-9(3-5-10)17-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyJERMEMYNABJGLX-UHFFFAOYSA-N
XLogP1.39
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxypropanoic acid;11-phenoxyundecanoic acid
CID 67508257
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
2-[4-(4-octoxyphenyl)phenoxy]propanoic acid
CID 71341870
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
2-[2-[4-(3-oxobutan-2-yloxy)phenoxy]ethoxy]acetic acid
CID 59205630
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid (CID 69292978) is 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid is CC(Oc1ccc(OCCC(=O)O)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid?
The InChIKey is JERMEMYNABJGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-8(12(15)16)18-10-4-2-9(3-5-10)17-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid?
2-[4-(2-carboxyethoxy)phenoxy]propanoic acid has a molecular weight of 254.24 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-carboxyethoxy)phenoxy]propanoic acid is sourced from PubChem (CID 69292978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).