ethoxyethane;2-phenylpropanoic acid

C13H20O3 — CID 174766454

IUPACethoxyethane;2-phenylpropanoic acid
SMILESCC(C(=O)O)c1ccccc1.CCOCC
InChIInChI=1S/C9H10O2.C4H10O/c1-7(9(10)11)8-5-3-2-4-6-8;1-3-5-4-2/h2-7H,1H3,(H,10,11);3-4H2,1-2H3
InChIKeyADABLSQTAGAFFY-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.92
Rot. Bonds4

About ethoxyethane;2-phenylpropanoic acid

ethoxyethane;2-phenylpropanoic acid (PubChem CID 174766454) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethoxyethane;2-phenylpropanoic acid.

Molecular Properties

Compound Nameethoxyethane;2-phenylpropanoic acid
PubChem CID174766454
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameethoxyethane;2-phenylpropanoic acid
SMILESCC(C(=O)O)c1ccccc1.CCOCC
InChIInChI=1S/C9H10O2.C4H10O/c1-7(9(10)11)8-5-3-2-4-6-8;1-3-5-4-2/h2-7H,1H3,(H,10,11);3-4H2,1-2H3
InChIKeyADABLSQTAGAFFY-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
2-[4-(ethoxymethyl)phenyl]propanoic acid
CID 83883711
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
ethyl (2S)-2-phenylpropanoate
CID 7204861
2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
CID 105344853
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
CID 160914011
2-(4-phenoxyphenyl)propanoic acid
CID 527817
2-(4-diethoxyphosphanylphenyl)propanoic acid
CID 89471240

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-phenylpropanoic acid?
The IUPAC name of ethoxyethane;2-phenylpropanoic acid (CID 174766454) is ethoxyethane;2-phenylpropanoic acid.
What is the SMILES notation for ethoxyethane;2-phenylpropanoic acid?
The canonical SMILES for ethoxyethane;2-phenylpropanoic acid is CC(C(=O)O)c1ccccc1.CCOCC.
What is the InChIKey of ethoxyethane;2-phenylpropanoic acid?
The InChIKey is ADABLSQTAGAFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C4H10O/c1-7(9(10)11)8-5-3-2-4-6-8;1-3-5-4-2/h2-7H,1H3,(H,10,11);3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-phenylpropanoic acid?
ethoxyethane;2-phenylpropanoic acid has a molecular weight of 224.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-phenylpropanoic acid is sourced from PubChem (CID 174766454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).