4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene

C14H20Cl2O2 — CID 54232462

IUPAC4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene
SMILESCCCCOCCOCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2O2/c1-2-3-7-17-9-10-18-8-6-12-4-5-13(15)14(16)11-12/h4-5,11H,2-3,6-10H2,1H3
InChIKeyNVOADKZGEOPEII-UHFFFAOYSA-N
MW291.22 g/mol
LogP4.37
Rot. Bonds9

About 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene

4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene (PubChem CID 54232462) has the molecular formula C14H20Cl2O2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene
PubChem CID54232462
Molecular FormulaC14H20Cl2O2
Molecular Weight291.22 g/mol
Exact Mass290.08
IUPAC Name4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene
SMILESCCCCOCCOCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2O2/c1-2-3-7-17-9-10-18-8-6-12-4-5-13(15)14(16)11-12/h4-5,11H,2-3,6-10H2,1H3
InChIKeyNVOADKZGEOPEII-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene 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 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene (CID 54232462) is 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene is CCCCOCCOCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene?
The InChIKey is NVOADKZGEOPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O2/c1-2-3-7-17-9-10-18-8-6-12-4-5-13(15)14(16)11-12/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene?
4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene has a molecular weight of 291.22 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butoxyethoxy)ethyl]-1,2-dichlorobenzene is sourced from PubChem (CID 54232462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).