3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid

C13H18O4 — CID 43538057

IUPAC3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
SMILESCOCCc1ccc(OCC(C)C(=O)O)cc1
InChIInChI=1S/C13H18O4/c1-10(13(14)15)9-17-12-5-3-11(4-6-12)7-8-16-2/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyHPOJANSKBDCZLU-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.98
Rot. Bonds7

About 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid

3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid (PubChem CID 43538057) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
PubChem CID43538057
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
SMILESCOCCc1ccc(OCC(C)C(=O)O)cc1
InChIInChI=1S/C13H18O4/c1-10(13(14)15)9-17-12-5-3-11(4-6-12)7-8-16-2/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyHPOJANSKBDCZLU-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxybutanedioic acid;bis((2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol)
CID 90661400
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
CID 10353214
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
2,3-dihydroxy-4-[1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxobutanoic acid
CID 70045976
4-[4-(2-methoxyethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63033159
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
3-[4-(3-methoxypropyl)phenyl]-2-methylpropanoic acid
CID 115112833
3-[4-(2-methoxyethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64807086
methanol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175047598
4-[4-(chloromethyl)phenoxy]-2-methylbutanoic acid
CID 21493879

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid (CID 43538057) is 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid is COCCc1ccc(OCC(C)C(=O)O)cc1.
What is the InChIKey of 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid?
The InChIKey is HPOJANSKBDCZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(13(14)15)9-17-12-5-3-11(4-6-12)7-8-16-2/h3-6,10H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid?
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid has a molecular weight of 238.28 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 43538057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).