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

C14H20O5 — CID 63074316

IUPAC2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
SMILESCCCOc1ccc(OCC(OCC)C(=O)O)cc1
InChIInChI=1S/C14H20O5/c1-3-9-18-11-5-7-12(8-6-11)19-10-13(14(15)16)17-4-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyZPNXGPKLQFHYOV-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.34
Rot. Bonds9

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

2-ethoxy-3-(4-propoxyphenoxy)propanoic acid (PubChem CID 63074316) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-ethoxy-3-(4-propoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
PubChem CID63074316
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
SMILESCCCOc1ccc(OCC(OCC)C(=O)O)cc1
InChIInChI=1S/C14H20O5/c1-3-9-18-11-5-7-12(8-6-11)19-10-13(14(15)16)17-4-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyZPNXGPKLQFHYOV-UHFFFAOYSA-N
XLogP2.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-phenoxypropanoic acid
CID 63074298
2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63073122
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 63074115
2-ethoxy-4-(4-propylphenoxy)butanoic acid
CID 63075186
2-dodecoxy-3-phenoxypropanoic acid
CID 54526950
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-propoxypropanoic acid
CID 63074501
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820
2-ethoxy-3-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 102747684
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-propoxyphenoxy)propanoic acid?
The IUPAC name of 2-ethoxy-3-(4-propoxyphenoxy)propanoic acid (CID 63074316) is 2-ethoxy-3-(4-propoxyphenoxy)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(4-propoxyphenoxy)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(4-propoxyphenoxy)propanoic acid is CCCOc1ccc(OCC(OCC)C(=O)O)cc1.
What is the InChIKey of 2-ethoxy-3-(4-propoxyphenoxy)propanoic acid?
The InChIKey is ZPNXGPKLQFHYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-3-9-18-11-5-7-12(8-6-11)19-10-13(14(15)16)17-4-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethoxy-3-(4-propoxyphenoxy)propanoic acid?
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-propoxyphenoxy)propanoic acid is sourced from PubChem (CID 63074316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).