3-(2-methoxyethoxy)-2-phenylpropanoic acid

C12H16O4 — CID 63073447

IUPAC3-(2-methoxyethoxy)-2-phenylpropanoic acid
SMILESCOCCOCC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H16O4/c1-15-7-8-16-9-11(12(13)14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14)
InChIKeyCHIXXVJLUYGGOR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.52
Rot. Bonds7

About 3-(2-methoxyethoxy)-2-phenylpropanoic acid

3-(2-methoxyethoxy)-2-phenylpropanoic acid (PubChem CID 63073447) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-2-phenylpropanoic acid
PubChem CID63073447
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-(2-methoxyethoxy)-2-phenylpropanoic acid
SMILESCOCCOCC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H16O4/c1-15-7-8-16-9-11(12(13)14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14)
InChIKeyCHIXXVJLUYGGOR-UHFFFAOYSA-N
XLogP1.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-4-methyl-2-phenylhexanoic acid
CID 116500424
3-(2-methoxyethylsulfonyl)-2-phenylpropanoic acid
CID 64558648
3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
2-[4-(dimethylamino)phenyl]-3-methoxypropanoic acid
CID 58915416
1-methoxy-2-phenylhexan-3-one
CID 103466352
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
CID 43171869
2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid
CID 63073472
3-(3-methoxypropylsulfonylamino)-2-phenylpropanoic acid
CID 63290449
2-(2-bromophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 104565058
1-methoxy-4,4-dimethyl-2-phenylhexan-3-one
CID 70904640
propyl 3-ethoxy-2-phenylpropanoate
CID 138629515
3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
CID 82825431

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-2-phenylpropanoic acid?
The IUPAC name of 3-(2-methoxyethoxy)-2-phenylpropanoic acid (CID 63073447) is 3-(2-methoxyethoxy)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2-methoxyethoxy)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2-methoxyethoxy)-2-phenylpropanoic acid is COCCOCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2-methoxyethoxy)-2-phenylpropanoic acid?
The InChIKey is CHIXXVJLUYGGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-15-7-8-16-9-11(12(13)14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14).
What are the key properties of 3-(2-methoxyethoxy)-2-phenylpropanoic acid?
3-(2-methoxyethoxy)-2-phenylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-2-phenylpropanoic acid is sourced from PubChem (CID 63073447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).