2-(3-ethoxyphenyl)-2-propoxyacetic acid

C13H18O4 — CID 83224813

IUPAC2-(3-ethoxyphenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1cccc(OCC)c1
InChIInChI=1S/C13H18O4/c1-3-8-17-12(13(14)15)10-6-5-7-11(9-10)16-4-2/h5-7,9,12H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyLEYGMDHSZDARBY-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.64
Rot. Bonds7

About 2-(3-ethoxyphenyl)-2-propoxyacetic acid

2-(3-ethoxyphenyl)-2-propoxyacetic acid (PubChem CID 83224813) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-2-propoxyacetic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-2-propoxyacetic acid
PubChem CID83224813
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(3-ethoxyphenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1cccc(OCC)c1
InChIInChI=1S/C13H18O4/c1-3-8-17-12(13(14)15)10-6-5-7-11(9-10)16-4-2/h5-7,9,12H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyLEYGMDHSZDARBY-UHFFFAOYSA-N
XLogP2.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypropoxy)-2-(3-propoxyphenyl)acetic acid
CID 103377987
2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
2-(3-propoxyphenyl)butanoic acid
CID 54432962
(2S,3S)-2-methyl-3-(3-propoxyphenyl)pentanoic acid
CID 125467992
3-[[carboxy-(3-ethoxyphenyl)methyl]-ethylamino]propanoic acid
CID 84748312
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-2-propoxyacetic acid?
The IUPAC name of 2-(3-ethoxyphenyl)-2-propoxyacetic acid (CID 83224813) is 2-(3-ethoxyphenyl)-2-propoxyacetic acid.
What is the SMILES notation for 2-(3-ethoxyphenyl)-2-propoxyacetic acid?
The canonical SMILES for 2-(3-ethoxyphenyl)-2-propoxyacetic acid is CCCOC(C(=O)O)c1cccc(OCC)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-2-propoxyacetic acid?
The InChIKey is LEYGMDHSZDARBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-8-17-12(13(14)15)10-6-5-7-11(9-10)16-4-2/h5-7,9,12H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-ethoxyphenyl)-2-propoxyacetic acid?
2-(3-ethoxyphenyl)-2-propoxyacetic acid has a molecular weight of 238.28 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-2-propoxyacetic acid is sourced from PubChem (CID 83224813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).