2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid

C12H16O5 — CID 63073122

IUPAC2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid
SMILESCCOC(COc1ccc(CO)cc1)C(=O)O
InChIInChI=1S/C12H16O5/c1-2-16-11(12(14)15)8-17-10-5-3-9(7-13)4-6-10/h3-6,11,13H,2,7-8H2,1H3,(H,14,15)
InChIKeySISZCNWKWZBKKZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.05
Rot. Bonds7

About 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid

2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid (PubChem CID 63073122) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid
PubChem CID63073122
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid
SMILESCCOC(COc1ccc(CO)cc1)C(=O)O
InChIInChI=1S/C12H16O5/c1-2-16-11(12(14)15)8-17-10-5-3-9(7-13)4-6-10/h3-6,11,13H,2,7-8H2,1H3,(H,14,15)
InChIKeySISZCNWKWZBKKZ-UHFFFAOYSA-N
XLogP1.05
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-phenoxypropanoic acid
CID 63074298
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 63074115
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-4-(4-propylphenoxy)butanoic acid
CID 63075186
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820
2-[4-(hydroxymethyl)phenoxy]pentanoic acid
CID 83037900
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
2-ethoxy-3-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 102747684
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid (CID 63073122) is 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid is CCOC(COc1ccc(CO)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid?
The InChIKey is SISZCNWKWZBKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-2-16-11(12(14)15)8-17-10-5-3-9(7-13)4-6-10/h3-6,11,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid?
2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid has a molecular weight of 240.25 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid is sourced from PubChem (CID 63073122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).