2-ethoxy-3-phenoxypropanoic acid

C11H14O4 — CID 63074298

IUPAC2-ethoxy-3-phenoxypropanoic acid
SMILESCCOC(COc1ccccc1)C(=O)O
InChIInChI=1S/C11H14O4/c1-2-14-10(11(12)13)8-15-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)
InChIKeyCLAGBUSTMCNHLG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.56
Rot. Bonds6

About 2-ethoxy-3-phenoxypropanoic acid

2-ethoxy-3-phenoxypropanoic acid (PubChem CID 63074298) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-ethoxy-3-phenoxypropanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-phenoxypropanoic acid
PubChem CID63074298
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-ethoxy-3-phenoxypropanoic acid
SMILESCCOC(COc1ccccc1)C(=O)O
InChIInChI=1S/C11H14O4/c1-2-14-10(11(12)13)8-15-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)
InChIKeyCLAGBUSTMCNHLG-UHFFFAOYSA-N
XLogP1.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63073122
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820
2-dodecoxy-3-phenoxypropanoic acid
CID 54526950
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 63074115
2-ethoxy-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63074684
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
CID 63072782
3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
CID 82727545
2-ethoxy-3-phenylpropanoic acid
CID 54403311
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
2-hydroxy-3-phenoxypropanoic acid
CID 67592895

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-phenoxypropanoic acid?
The IUPAC name of 2-ethoxy-3-phenoxypropanoic acid (CID 63074298) is 2-ethoxy-3-phenoxypropanoic acid.
What is the SMILES notation for 2-ethoxy-3-phenoxypropanoic acid?
The canonical SMILES for 2-ethoxy-3-phenoxypropanoic acid is CCOC(COc1ccccc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-phenoxypropanoic acid?
The InChIKey is CLAGBUSTMCNHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-14-10(11(12)13)8-15-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13).
What are the key properties of 2-ethoxy-3-phenoxypropanoic acid?
2-ethoxy-3-phenoxypropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-phenoxypropanoic acid is sourced from PubChem (CID 63074298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).