3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid

C13H18O4 — CID 20985587

IUPAC3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
SMILESCCOc1ccccc1OCC(C)(C)C(=O)O
InChIInChI=1S/C13H18O4/c1-4-16-10-7-5-6-8-11(10)17-9-13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyOZCJXYQWWNNDJH-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.57
Rot. Bonds6

About 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid

3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid (PubChem CID 20985587) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
PubChem CID20985587
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
SMILESCCOc1ccccc1OCC(C)(C)C(=O)O
InChIInChI=1S/C13H18O4/c1-4-16-10-7-5-6-8-11(10)17-9-13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyOZCJXYQWWNNDJH-UHFFFAOYSA-N
XLogP2.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
CID 20986649
3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79624419
2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
CID 82286918
3-(4-carbamothioyl-2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623798
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
CID 79624513
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
2-(2-ethoxyphenoxy)-2-methylbutanoic acid
CID 114990551
3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019083
3-(3-amino-2-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79622080
4-[(2-ethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133691
1-(3-bromo-2,2-dimethylpropoxy)-2-ethoxybenzene
CID 64995079

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid (CID 20985587) is 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid is CCOc1ccccc1OCC(C)(C)C(=O)O.
What is the InChIKey of 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid?
The InChIKey is OZCJXYQWWNNDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-16-10-7-5-6-8-11(10)17-9-13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid?
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 20985587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).