1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene

C20H24Cl2O3 — CID 142632272

IUPAC1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
SMILESClc1ccccc1CCOCCOCCOCCc1ccccc1Cl
InChIInChI=1S/C20H24Cl2O3/c21-19-7-3-1-5-17(19)9-11-23-13-15-25-16-14-24-12-10-18-6-2-4-8-20(18)22/h1-8H,9-16H2
InChIKeyJNVZWDATURNYQS-UHFFFAOYSA-N
MW383.31 g/mol
LogP4.83
Rot. Bonds12

About 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene

1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene (PubChem CID 142632272) has the molecular formula C20H24Cl2O3 and a molecular weight of 383.31 g/mol. Its IUPAC name is 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
PubChem CID142632272
Molecular FormulaC20H24Cl2O3
Molecular Weight383.31 g/mol
Exact Mass382.11
IUPAC Name1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
SMILESClc1ccccc1CCOCCOCCOCCc1ccccc1Cl
InChIInChI=1S/C20H24Cl2O3/c21-19-7-3-1-5-17(19)9-11-23-13-15-25-16-14-24-12-10-18-6-2-4-8-20(18)22/h1-8H,9-16H2
InChIKeyJNVZWDATURNYQS-UHFFFAOYSA-N
XLogP4.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethyl)-2-chlorobenzene
CID 91693275
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CID 91692886
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CID 91691644
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583
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CID 174487660
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CID 21495838
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline
CID 43519712
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CID 18316827

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene?
The IUPAC name of 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene (CID 142632272) is 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene.
What is the SMILES notation for 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene?
The canonical SMILES for 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene is Clc1ccccc1CCOCCOCCOCCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene?
The InChIKey is JNVZWDATURNYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2O3/c21-19-7-3-1-5-17(19)9-11-23-13-15-25-16-14-24-12-10-18-6-2-4-8-20(18)22/h1-8H,9-16H2.
What are the key properties of 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene?
1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene has a molecular weight of 383.31 g/mol, XLogP of 4.83, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene is sourced from PubChem (CID 142632272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).