10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane

C14H20INO3 — CID 101167141

IUPAC10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
SMILESIc1ccccc1N1CCOCCOCCOCC1
InChIInChI=1S/C14H20INO3/c15-13-3-1-2-4-14(13)16-5-7-17-9-11-19-12-10-18-8-6-16/h1-4H,5-12H2
InChIKeyMNBOXGOIEPUJIF-UHFFFAOYSA-N
MW377.22 g/mol
LogP2.16
Rot. Bonds1

About 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane

10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane (PubChem CID 101167141) has the molecular formula C14H20INO3 and a molecular weight of 377.22 g/mol. Its IUPAC name is 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane.

Molecular Properties

Compound Name10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
PubChem CID101167141
Molecular FormulaC14H20INO3
Molecular Weight377.22 g/mol
Exact Mass377.05
IUPAC Name10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
SMILESIc1ccccc1N1CCOCCOCCOCC1
InChIInChI=1S/C14H20INO3/c15-13-3-1-2-4-14(13)16-5-7-17-9-11-19-12-10-18-8-6-16/h1-4H,5-12H2
InChIKeyMNBOXGOIEPUJIF-UHFFFAOYSA-N
XLogP2.16
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
2-morpholin-4-ylbenzonitrile
CID 2737012
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CID 15763135
4-[2-(2-methylphenyl)phenyl]morpholine
CID 173334171
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4-(2-methylsulfinylphenyl)morpholine
CID 173235421
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
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CID 518097

Frequently Asked Questions

What is the IUPAC name of 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane?
The IUPAC name of 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane (CID 101167141) is 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane.
What is the SMILES notation for 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane?
The canonical SMILES for 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane is Ic1ccccc1N1CCOCCOCCOCC1.
What is the InChIKey of 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane?
The InChIKey is MNBOXGOIEPUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO3/c15-13-3-1-2-4-14(13)16-5-7-17-9-11-19-12-10-18-8-6-16/h1-4H,5-12H2.
What are the key properties of 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane?
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane has a molecular weight of 377.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane is sourced from PubChem (CID 101167141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).