2-(2-ethoxyphenoxy)-2-methylbutanoic acid

C13H18O4 — CID 114990551

IUPAC2-(2-ethoxyphenoxy)-2-methylbutanoic acid
SMILESCCOc1ccccc1OC(C)(CC)C(=O)O
InChIInChI=1S/C13H18O4/c1-4-13(3,12(14)15)17-11-9-7-6-8-10(11)16-5-2/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyHXQFRITVTJAWPZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.72
Rot. Bonds6

About 2-(2-ethoxyphenoxy)-2-methylbutanoic acid

2-(2-ethoxyphenoxy)-2-methylbutanoic acid (PubChem CID 114990551) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-2-methylbutanoic acid
PubChem CID114990551
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(2-ethoxyphenoxy)-2-methylbutanoic acid
SMILESCCOc1ccccc1OC(C)(CC)C(=O)O
InChIInChI=1S/C13H18O4/c1-4-13(3,12(14)15)17-11-9-7-6-8-10(11)16-5-2/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyHXQFRITVTJAWPZ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587
2-ethoxy-1-(2-ethoxyphenyl)-2-methylbutan-1-one
CID 116746823
3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
CID 82286918
2-(2-chloro-4-fluorophenoxy)-2-methylbutanoic acid
CID 114993360
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
4-[(2-ethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133691
2-ethoxybenzoic acid;zinc
CID 172723273
4-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144
2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79806934
2-(3-methoxyphenoxy)-2-methylbutanoic acid
CID 114987502

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-2-methylbutanoic acid?
The IUPAC name of 2-(2-ethoxyphenoxy)-2-methylbutanoic acid (CID 114990551) is 2-(2-ethoxyphenoxy)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-2-methylbutanoic acid?
The canonical SMILES for 2-(2-ethoxyphenoxy)-2-methylbutanoic acid is CCOc1ccccc1OC(C)(CC)C(=O)O.
What is the InChIKey of 2-(2-ethoxyphenoxy)-2-methylbutanoic acid?
The InChIKey is HXQFRITVTJAWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-13(3,12(14)15)17-11-9-7-6-8-10(11)16-5-2/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-ethoxyphenoxy)-2-methylbutanoic acid?
2-(2-ethoxyphenoxy)-2-methylbutanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-2-methylbutanoic acid is sourced from PubChem (CID 114990551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).