2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid

C14H20O3 — CID 145439775

IUPAC2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid
SMILESCCc1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C14H20O3/c1-6-11-7-9(2)12(10(3)8-11)17-14(4,5)13(15)16/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyPESTYMPRNOTLEG-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid

2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid (PubChem CID 145439775) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid
PubChem CID145439775
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid
SMILESCCc1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C14H20O3/c1-6-11-7-9(2)12(10(3)8-11)17-14(4,5)13(15)16/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyPESTYMPRNOTLEG-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate
CID 145439931
2-[4-(3,4-dimethyl-5-oxo-5-phenylpentyl)-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 138649197
2-[4-[3-[2-ethyl-4-(2,2,2-trifluoroethoxy)phenyl]-3-oxopropyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 142781260
2-[4-[3-(4-chloro-2-hydroxyphenyl)-3-oxopropyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 163654785
2-[4-[3-(2-heptylphenyl)-3-oxopropyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 58297720
2-[2,6-dimethyl-4-[(2R,3R)-3-methyl-4-oxo-4-(4-propylphenyl)butan-2-yl]phenoxy]-2-methylpropanoic acid
CID 138649664
2-[2,6-dimethyl-4-[3-[4-methyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]-3-oxopropyl]phenoxy]-2-methylpropanoic acid
CID 155091731
2-[4-[(3S,4R)-5-(4-bromophenyl)-3,4-dimethyl-5-oxopentyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 138649396
2-[2,6-dimethyl-4-[2-[(3S)-1-prop-1-en-2-ylpyrrolidin-3-yl]ethyl]phenoxy]-2-methylpropanoic acid
CID 146605927
2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 170066843
3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 117341037
ethyl 2-(2,6-dimethyl-4-sulfanylphenoxy)-2-methylpropanoate
CID 176907549

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid?
The IUPAC name of 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid (CID 145439775) is 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid is CCc1cc(C)c(OC(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid?
The InChIKey is PESTYMPRNOTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-6-11-7-9(2)12(10(3)8-11)17-14(4,5)13(15)16/h7-8H,6H2,1-5H3,(H,15,16).
What are the key properties of 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid?
2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 145439775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).