2-[(4-iodophenoxy)methyl]-1H-pyrrole

C11H10INO — CID 141172511

IUPAC2-[(4-iodophenoxy)methyl]-1H-pyrrole
SMILESIc1ccc(OCc2ccc[nH]2)cc1
InChIInChI=1S/C11H10INO/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h1-7,13H,8H2
InChIKeyLYQVSEUFVUDYRT-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.20
Rot. Bonds3

About 2-[(4-iodophenoxy)methyl]-1H-pyrrole

2-[(4-iodophenoxy)methyl]-1H-pyrrole (PubChem CID 141172511) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-[(4-iodophenoxy)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(4-iodophenoxy)methyl]-1H-pyrrole
PubChem CID141172511
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC Name2-[(4-iodophenoxy)methyl]-1H-pyrrole
SMILESIc1ccc(OCc2ccc[nH]2)cc1
InChIInChI=1S/C11H10INO/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h1-7,13H,8H2
InChIKeyLYQVSEUFVUDYRT-UHFFFAOYSA-N
XLogP3.20
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenoxy)methyl]-1H-pyrrole?
The IUPAC name of 2-[(4-iodophenoxy)methyl]-1H-pyrrole (CID 141172511) is 2-[(4-iodophenoxy)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(4-iodophenoxy)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(4-iodophenoxy)methyl]-1H-pyrrole is Ic1ccc(OCc2ccc[nH]2)cc1.
What is the InChIKey of 2-[(4-iodophenoxy)methyl]-1H-pyrrole?
The InChIKey is LYQVSEUFVUDYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h1-7,13H,8H2.
What are the key properties of 2-[(4-iodophenoxy)methyl]-1H-pyrrole?
2-[(4-iodophenoxy)methyl]-1H-pyrrole has a molecular weight of 299.11 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenoxy)methyl]-1H-pyrrole is sourced from PubChem (CID 141172511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).