3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride

C11H15ClINO — CID 53409439

IUPAC3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
SMILESCl.Ic1ccc(COC2CCNC2)cc1
InChIInChI=1S/C11H14INO.ClH/c12-10-3-1-9(2-4-10)8-14-11-5-6-13-7-11;/h1-4,11,13H,5-8H2;1H
InChIKeyOWCFDZCFUOZMJI-UHFFFAOYSA-N
MW339.60 g/mol
LogP2.59
Rot. Bonds3

About 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride

3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride (PubChem CID 53409439) has the molecular formula C11H15ClINO and a molecular weight of 339.60 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
PubChem CID53409439
Molecular FormulaC11H15ClINO
Molecular Weight339.60 g/mol
Exact Mass338.99
IUPAC Name3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
SMILESCl.Ic1ccc(COC2CCNC2)cc1
InChIInChI=1S/C11H14INO.ClH/c12-10-3-1-9(2-4-10)8-14-11-5-6-13-7-11;/h1-4,11,13H,5-8H2;1H
InChIKeyOWCFDZCFUOZMJI-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
CID 71636909
1-(cyclobutyloxymethyl)-4-iodobenzene
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3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424
1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
CID 65491519
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine
CID 126671210
(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
CID 75485348
(3R)-3-[(4-propan-2-ylphenyl)methoxy]piperidine
CID 86322666

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride?
The IUPAC name of 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride (CID 53409439) is 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride is Cl.Ic1ccc(COC2CCNC2)cc1.
What is the InChIKey of 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride?
The InChIKey is OWCFDZCFUOZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO.ClH/c12-10-3-1-9(2-4-10)8-14-11-5-6-13-7-11;/h1-4,11,13H,5-8H2;1H.
What are the key properties of 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride?
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride has a molecular weight of 339.60 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride is sourced from PubChem (CID 53409439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).