2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate

C14H18Cl2O4 — CID 16002

IUPAC2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCCCOCCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyZMWGIGHRZQTQRE-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.73
Rot. Bonds9

About 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate

2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 16002) has the molecular formula C14H18Cl2O4 and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID16002
Molecular FormulaC14H18Cl2O4
Molecular Weight321.20 g/mol
Exact Mass320.06
IUPAC Name2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate
SMILESCCCCOCCOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyZMWGIGHRZQTQRE-UHFFFAOYSA-N
XLogP3.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate (CID 16002) is 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate is CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is ZMWGIGHRZQTQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3.
What are the key properties of 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate?
2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 321.20 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 16002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).