2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene

C14H10Cl4O2 — CID 6453604

IUPAC2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene
SMILESCC(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4O2/c1-8(19-13-4-2-9(15)6-11(13)17)20-14-5-3-10(16)7-12(14)18/h2-8H,1H3
InChIKeyJCNAVWKFZXDGHP-UHFFFAOYSA-N
MW352.04 g/mol
LogP6.10
Rot. Bonds4

About 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene

2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene (PubChem CID 6453604) has the molecular formula C14H10Cl4O2 and a molecular weight of 352.04 g/mol. Its IUPAC name is 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene
PubChem CID6453604
Molecular FormulaC14H10Cl4O2
Molecular Weight352.04 g/mol
Exact Mass349.94
IUPAC Name2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene
SMILESCC(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4O2/c1-8(19-13-4-2-9(15)6-11(13)17)20-14-5-3-10(16)7-12(14)18/h2-8H,1H3
InChIKeyJCNAVWKFZXDGHP-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.04
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene?
The IUPAC name of 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene (CID 6453604) is 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene.
What is the SMILES notation for 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene?
The canonical SMILES for 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene is CC(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene?
The InChIKey is JCNAVWKFZXDGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O2/c1-8(19-13-4-2-9(15)6-11(13)17)20-14-5-3-10(16)7-12(14)18/h2-8H,1H3.
What are the key properties of 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene?
2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene has a molecular weight of 352.04 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[1-(2,4-dichlorophenoxy)ethoxy]benzene is sourced from PubChem (CID 6453604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).