4-(4-iodophenoxy)pyrrolidin-3-ol

C10H12INO2 — CID 63702649

IUPAC4-(4-iodophenoxy)pyrrolidin-3-ol
SMILESOC1CNCC1Oc1ccc(I)cc1
InChIInChI=1S/C10H12INO2/c11-7-1-3-8(4-2-7)14-10-6-12-5-9(10)13/h1-4,9-10,12-13H,5-6H2
InChIKeyRCMIJEOTVXEHHB-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.00
Rot. Bonds2

About 4-(4-iodophenoxy)pyrrolidin-3-ol

4-(4-iodophenoxy)pyrrolidin-3-ol (PubChem CID 63702649) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 4-(4-iodophenoxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(4-iodophenoxy)pyrrolidin-3-ol
PubChem CID63702649
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name4-(4-iodophenoxy)pyrrolidin-3-ol
SMILESOC1CNCC1Oc1ccc(I)cc1
InChIInChI=1S/C10H12INO2/c11-7-1-3-8(4-2-7)14-10-6-12-5-9(10)13/h1-4,9-10,12-13H,5-6H2
InChIKeyRCMIJEOTVXEHHB-UHFFFAOYSA-N
XLogP1.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenoxy)pyrrolidin-3-ol?
The IUPAC name of 4-(4-iodophenoxy)pyrrolidin-3-ol (CID 63702649) is 4-(4-iodophenoxy)pyrrolidin-3-ol.
What is the SMILES notation for 4-(4-iodophenoxy)pyrrolidin-3-ol?
The canonical SMILES for 4-(4-iodophenoxy)pyrrolidin-3-ol is OC1CNCC1Oc1ccc(I)cc1.
What is the InChIKey of 4-(4-iodophenoxy)pyrrolidin-3-ol?
The InChIKey is RCMIJEOTVXEHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c11-7-1-3-8(4-2-7)14-10-6-12-5-9(10)13/h1-4,9-10,12-13H,5-6H2.
What are the key properties of 4-(4-iodophenoxy)pyrrolidin-3-ol?
4-(4-iodophenoxy)pyrrolidin-3-ol has a molecular weight of 305.12 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenoxy)pyrrolidin-3-ol is sourced from PubChem (CID 63702649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).