4-(4-ethoxyphenoxy)butanoate

C12H15O4- — CID 2392386

IUPAC4-(4-ethoxyphenoxy)butanoate
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)/p-1
InChIKeyZXZNQXICNJXQOQ-UHFFFAOYSA-M
MW223.25 g/mol
LogP0.99
Rot. Bonds7

About 4-(4-ethoxyphenoxy)butanoate

4-(4-ethoxyphenoxy)butanoate (PubChem CID 2392386) has the molecular formula C12H15O4- and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)butanoate.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)butanoate
PubChem CID2392386
Molecular FormulaC12H15O4-
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-(4-ethoxyphenoxy)butanoate
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)/p-1
InChIKeyZXZNQXICNJXQOQ-UHFFFAOYSA-M
XLogP0.99
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-ethoxyphenoxy)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 4-(4-methylphenoxy)butanoate
CID 19205465
4-(4-nonylphenoxy)butanoate
CID 22965467
(5R)-5-azaniumyl-5-(4-ethoxyphenyl)pentanoate
CID 28931195
5-(4-chlorophenoxy)pentanoate
CID 7037411
potassium 4-pyridin-4-yloxybutanoate
CID 23703747
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
2-(4-pentoxyphenyl)acetate
CID 7009494
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
ethane;ethyl 4-(4-nitrophenoxy)butanoate
CID 144742944
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)butanoate?
The IUPAC name of 4-(4-ethoxyphenoxy)butanoate (CID 2392386) is 4-(4-ethoxyphenoxy)butanoate.
What is the SMILES notation for 4-(4-ethoxyphenoxy)butanoate?
The canonical SMILES for 4-(4-ethoxyphenoxy)butanoate is CCOc1ccc(OCCCC(=O)[O-])cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)butanoate?
The InChIKey is ZXZNQXICNJXQOQ-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-(4-ethoxyphenoxy)butanoate?
4-(4-ethoxyphenoxy)butanoate has a molecular weight of 223.25 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)butanoate is sourced from PubChem (CID 2392386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).