1-(2,6-dichlorophenoxy)pyrrole

C10H7Cl2NO — CID 91581959

IUPAC1-(2,6-dichlorophenoxy)pyrrole
SMILESClc1cccc(Cl)c1On1cccc1
InChIInChI=1S/C10H7Cl2NO/c11-8-4-3-5-9(12)10(8)14-13-6-1-2-7-13/h1-7H
InChIKeyMXOBLEHJSRMAFN-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.64
Rot. Bonds2

About 1-(2,6-dichlorophenoxy)pyrrole

1-(2,6-dichlorophenoxy)pyrrole (PubChem CID 91581959) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)pyrrole.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)pyrrole
PubChem CID91581959
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name1-(2,6-dichlorophenoxy)pyrrole
SMILESClc1cccc(Cl)c1On1cccc1
InChIInChI=1S/C10H7Cl2NO/c11-8-4-3-5-9(12)10(8)14-13-6-1-2-7-13/h1-7H
InChIKeyMXOBLEHJSRMAFN-UHFFFAOYSA-N
XLogP3.64
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)pyrrole?
The IUPAC name of 1-(2,6-dichlorophenoxy)pyrrole (CID 91581959) is 1-(2,6-dichlorophenoxy)pyrrole.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)pyrrole?
The canonical SMILES for 1-(2,6-dichlorophenoxy)pyrrole is Clc1cccc(Cl)c1On1cccc1.
What is the InChIKey of 1-(2,6-dichlorophenoxy)pyrrole?
The InChIKey is MXOBLEHJSRMAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-8-4-3-5-9(12)10(8)14-13-6-1-2-7-13/h1-7H.
What are the key properties of 1-(2,6-dichlorophenoxy)pyrrole?
1-(2,6-dichlorophenoxy)pyrrole has a molecular weight of 228.08 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)pyrrole is sourced from PubChem (CID 91581959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).