2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid

C13H18O4 — CID 114990567

IUPAC2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
SMILESCOCCOC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H18O4/c1-13(12(14)15,17-9-8-16-2)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,15)
InChIKeyOXJRJWJLYYNKPZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.74
Rot. Bonds7

About 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid

2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid (PubChem CID 114990567) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
PubChem CID114990567
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
SMILESCOCCOC(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H18O4/c1-13(12(14)15,17-9-8-16-2)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,15)
InChIKeyOXJRJWJLYYNKPZ-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypropoxy)-2-methyl-3-phenylpropanoic acid
CID 103377988
2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
CID 114992406
3-(4-bromophenyl)-2-methyl-2-propoxypropanoic acid
CID 67305906
3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67305553
(2S)-3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67304966
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
2-(2-chloroethoxy)-2-methyl-4-phenylbutanoic acid
CID 83225914
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
methyl (2R)-2-acetyloxy-2-methyl-3-phenylpropanoate
CID 134892502
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid (CID 114990567) is 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid is COCCOC(C)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid?
The InChIKey is OXJRJWJLYYNKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-13(12(14)15,17-9-8-16-2)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid?
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid has a molecular weight of 238.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 114990567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).