2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid

C13H18O4 — CID 114990557

IUPAC2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
SMILESCCC(C)(Oc1ccc(C)cc1OC)C(=O)O
InChIInChI=1S/C13H18O4/c1-5-13(3,12(14)15)17-10-7-6-9(2)8-11(10)16-4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyMPPXWCYOTDKERI-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid

2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid (PubChem CID 114990557) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
PubChem CID114990557
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
SMILESCCC(C)(Oc1ccc(C)cc1OC)C(=O)O
InChIInChI=1S/C13H18O4/c1-5-13(3,12(14)15)17-10-7-6-9(2)8-11(10)16-4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyMPPXWCYOTDKERI-UHFFFAOYSA-N
XLogP2.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(2-methoxy-4-methylphenoxy)-2-methylpropanoyl chloride
CID 82117779
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79016754
2-amino-4-(2-methoxy-4-methylphenoxy)-4-methylpentanoic acid
CID 116821176
2-(2-chloro-4-fluorophenoxy)-2-methylbutanoic acid
CID 114993360
2-(2-ethoxyphenoxy)-2-methylbutanoic acid
CID 114990551
4-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]-3-methoxybenzoic acid
CID 20988325
2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
CID 79806703
2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 43753817
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
1-(2,4-dimethylpentan-2-yloxy)-2-methoxy-4-methylbenzene
CID 90705178
4-(2-methoxy-5-methylphenyl)-2,2-dimethylbutanoic acid
CID 65298753
2-[4-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylbutanoic acid
CID 142986325

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid (CID 114990557) is 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid is CCC(C)(Oc1ccc(C)cc1OC)C(=O)O.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid?
The InChIKey is MPPXWCYOTDKERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-5-13(3,12(14)15)17-10-7-6-9(2)8-11(10)16-4/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid?
2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid is sourced from PubChem (CID 114990557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).