4-[2-(3-chlorophenoxy)ethoxy]oxane

C13H17ClO3 — CID 172730478

IUPAC4-[2-(3-chlorophenoxy)ethoxy]oxane
SMILESClc1cccc(OCCOC2CCOCC2)c1
InChIInChI=1S/C13H17ClO3/c14-11-2-1-3-13(10-11)17-9-8-16-12-4-6-15-7-5-12/h1-3,10,12H,4-9H2
InChIKeyHSOIQONEBVGFQB-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.91
Rot. Bonds5

About 4-[2-(3-chlorophenoxy)ethoxy]oxane

4-[2-(3-chlorophenoxy)ethoxy]oxane (PubChem CID 172730478) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-[2-(3-chlorophenoxy)ethoxy]oxane.

Molecular Properties

Compound Name4-[2-(3-chlorophenoxy)ethoxy]oxane
PubChem CID172730478
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name4-[2-(3-chlorophenoxy)ethoxy]oxane
SMILESClc1cccc(OCCOC2CCOCC2)c1
InChIInChI=1S/C13H17ClO3/c14-11-2-1-3-13(10-11)17-9-8-16-12-4-6-15-7-5-12/h1-3,10,12H,4-9H2
InChIKeyHSOIQONEBVGFQB-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(3-chlorophenoxy)ethoxy]oxane 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

4-[2-(3-bromophenoxy)ethoxy]oxane
CID 54970855
3-[3-(oxan-4-yloxy)propoxy]benzoic acid
CID 63073125
3-[2-(oxolan-3-yloxy)ethoxy]benzoic acid
CID 63557403
2-[2-(3-chlorophenoxy)ethoxy]oxane-4-carboxylic acid
CID 175749425
4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
CID 110175302
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712910
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 105138600
N-[2-(3-chlorophenoxy)ethyl]-N-ethyloxolane-3-carboxamide
CID 74249157
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
[2-(3-chlorophenoxy)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105306470

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenoxy)ethoxy]oxane?
The IUPAC name of 4-[2-(3-chlorophenoxy)ethoxy]oxane (CID 172730478) is 4-[2-(3-chlorophenoxy)ethoxy]oxane.
What is the SMILES notation for 4-[2-(3-chlorophenoxy)ethoxy]oxane?
The canonical SMILES for 4-[2-(3-chlorophenoxy)ethoxy]oxane is Clc1cccc(OCCOC2CCOCC2)c1.
What is the InChIKey of 4-[2-(3-chlorophenoxy)ethoxy]oxane?
The InChIKey is HSOIQONEBVGFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c14-11-2-1-3-13(10-11)17-9-8-16-12-4-6-15-7-5-12/h1-3,10,12H,4-9H2.
What are the key properties of 4-[2-(3-chlorophenoxy)ethoxy]oxane?
4-[2-(3-chlorophenoxy)ethoxy]oxane has a molecular weight of 256.73 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenoxy)ethoxy]oxane is sourced from PubChem (CID 172730478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).