2-(3-ethoxyphenoxy)-3-methoxypropanoic acid

C12H16O5 — CID 103224091

IUPAC2-(3-ethoxyphenoxy)-3-methoxypropanoic acid
SMILESCCOc1cccc(OC(COC)C(=O)O)c1
InChIInChI=1S/C12H16O5/c1-3-16-9-5-4-6-10(7-9)17-11(8-15-2)12(13)14/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyVBXNDEDZVQHMAJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.56
Rot. Bonds7

About 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid

2-(3-ethoxyphenoxy)-3-methoxypropanoic acid (PubChem CID 103224091) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-3-methoxypropanoic acid
PubChem CID103224091
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-(3-ethoxyphenoxy)-3-methoxypropanoic acid
SMILESCCOc1cccc(OC(COC)C(=O)O)c1
InChIInChI=1S/C12H16O5/c1-3-16-9-5-4-6-10(7-9)17-11(8-15-2)12(13)14/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyVBXNDEDZVQHMAJ-UHFFFAOYSA-N
XLogP1.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid
CID 69114724
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
3-(3-ethoxyphenoxy)-2-(methylamino)propanoic acid
CID 62337887
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241068
3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
CID 103223931
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
2-(4-formylphenoxy)-3-methoxypropanoic acid
CID 103224047
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 94027504
2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide
CID 55060557

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid?
The IUPAC name of 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid (CID 103224091) is 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid?
The canonical SMILES for 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid is CCOc1cccc(OC(COC)C(=O)O)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid?
The InChIKey is VBXNDEDZVQHMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-3-16-9-5-4-6-10(7-9)17-11(8-15-2)12(13)14/h4-7,11H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid?
2-(3-ethoxyphenoxy)-3-methoxypropanoic acid has a molecular weight of 240.25 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-3-methoxypropanoic acid is sourced from PubChem (CID 103224091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).