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

C12H16O4 — CID 10176890

IUPAC2-(2-methoxyethoxy)-3-phenylpropanoic acid
SMILESCOCCOC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H16O4/c1-15-7-8-16-11(12(13)14)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14)
InChIKeyUZLMNGNLQYXGEK-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.35
Rot. Bonds7

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

2-(2-methoxyethoxy)-3-phenylpropanoic acid (PubChem CID 10176890) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-phenylpropanoic acid
PubChem CID10176890
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(2-methoxyethoxy)-3-phenylpropanoic acid
SMILESCOCCOC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H16O4/c1-15-7-8-16-11(12(13)14)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14)
InChIKeyUZLMNGNLQYXGEK-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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

2-ethoxy-3-phenylpropanoic acid
CID 54403311
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
(2S)-2-aminooxy-3-phenylpropanoic acid
CID 15582761
1-phenyl-2-propoxypentan-3-one
CID 83226669
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-phenylmethoxybutanoic acid
CID 11816388
2-methoxy-3-phenylpropanethioic S-acid
CID 154225885

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-3-phenylpropanoic acid?
The IUPAC name of 2-(2-methoxyethoxy)-3-phenylpropanoic acid (CID 10176890) is 2-(2-methoxyethoxy)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-phenylpropanoic acid?
The canonical SMILES for 2-(2-methoxyethoxy)-3-phenylpropanoic acid is COCCOC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-methoxyethoxy)-3-phenylpropanoic acid?
The InChIKey is UZLMNGNLQYXGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-15-7-8-16-11(12(13)14)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,14).
What are the key properties of 2-(2-methoxyethoxy)-3-phenylpropanoic acid?
2-(2-methoxyethoxy)-3-phenylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-3-phenylpropanoic acid is sourced from PubChem (CID 10176890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).