4-(4-ethoxyphenoxy)butanoic acid

C12H16O4 — CID 2392387

IUPAC4-(4-ethoxyphenoxy)butanoic acid
SMILESCCOc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChIKeyZXZNQXICNJXQOQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.33
Rot. Bonds7

About 4-(4-ethoxyphenoxy)butanoic acid

4-(4-ethoxyphenoxy)butanoic acid (PubChem CID 2392387) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)butanoic acid.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)butanoic acid
PubChem CID2392387
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-(4-ethoxyphenoxy)butanoic acid
SMILESCCOc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChIKeyZXZNQXICNJXQOQ-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.33
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

Phenyl acetate
CID 31229
4-Ethoxyphenol
CID 12150
2-(4-Methoxyphenoxy)propanoic acid
CID 151199
Phenoxyethyl isobutyrate
CID 61005
Sodium 2-(4-methoxyphenoxy)propanoate
CID 23670520
Phenoxyethyl propionate
CID 31954
4-Hydroxyphenyl acetate
CID 96009
p-Methoxyphenetole
CID 78760
2-Phenoxyethyl butanoate
CID 90136
2-(4-Hydroxy-phenoxy)-propionic acid
CID 101182
(4-Hydroxyphenoxy)acetic acid
CID 15881
1,4-Diethoxybenzene
CID 67150

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)butanoic acid?
The IUPAC name of 4-(4-ethoxyphenoxy)butanoic acid (CID 2392387) is 4-(4-ethoxyphenoxy)butanoic acid.
What is the SMILES notation for 4-(4-ethoxyphenoxy)butanoic acid?
The canonical SMILES for 4-(4-ethoxyphenoxy)butanoic acid is CCOc1ccc(OCCCC(=O)O)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)butanoic acid?
The InChIKey is ZXZNQXICNJXQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14).
What are the key properties of 4-(4-ethoxyphenoxy)butanoic acid?
4-(4-ethoxyphenoxy)butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)butanoic acid is sourced from PubChem (CID 2392387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).