4-[4-(2-methoxyethyl)phenoxy]butanoic acid

C13H18O4 — CID 43169586

IUPAC4-[4-(2-methoxyethyl)phenoxy]butanoic acid
SMILESCOCCc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C13H18O4/c1-16-10-8-11-4-6-12(7-5-11)17-9-2-3-13(14)15/h4-7H,2-3,8-10H2,1H3,(H,14,15)
InChIKeyWFFRLSRZHMIYGB-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.12
Rot. Bonds8

About 4-[4-(2-methoxyethyl)phenoxy]butanoic acid

4-[4-(2-methoxyethyl)phenoxy]butanoic acid (PubChem CID 43169586) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-[4-(2-methoxyethyl)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-methoxyethyl)phenoxy]butanoic acid
PubChem CID43169586
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-[4-(2-methoxyethyl)phenoxy]butanoic acid
SMILESCOCCc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C13H18O4/c1-16-10-8-11-4-6-12(7-5-11)17-9-2-3-13(14)15/h4-7H,2-3,8-10H2,1H3,(H,14,15)
InChIKeyWFFRLSRZHMIYGB-UHFFFAOYSA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.12
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

7-(4-hexylphenoxy)heptanoic acid
CID 54502336
3-[4-(3-methoxypropyl)phenyl]propanoic acid
CID 58454931
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
N-(1-amino-2-methylpropan-2-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 119522166
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
CID 43538057
3-[4-[3-(dimethylamino)propoxy]phenyl]propanoic acid
CID 20986252
4-[4-[(4-dodecylphenyl)diazenyl]phenoxy]butanoic acid
CID 86173212
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
3-[4-[2-(methylamino)ethoxy]phenyl]propanoic acid
CID 117095187
4-(4-aminophenoxy)butanoic acid
CID 14451763
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethyl)phenoxy]butanoic acid?
The IUPAC name of 4-[4-(2-methoxyethyl)phenoxy]butanoic acid (CID 43169586) is 4-[4-(2-methoxyethyl)phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-(2-methoxyethyl)phenoxy]butanoic acid?
The canonical SMILES for 4-[4-(2-methoxyethyl)phenoxy]butanoic acid is COCCc1ccc(OCCCC(=O)O)cc1.
What is the InChIKey of 4-[4-(2-methoxyethyl)phenoxy]butanoic acid?
The InChIKey is WFFRLSRZHMIYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-16-10-8-11-4-6-12(7-5-11)17-9-2-3-13(14)15/h4-7H,2-3,8-10H2,1H3,(H,14,15).
What are the key properties of 4-[4-(2-methoxyethyl)phenoxy]butanoic acid?
4-[4-(2-methoxyethyl)phenoxy]butanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethyl)phenoxy]butanoic acid is sourced from PubChem (CID 43169586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).