4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine

C11H16INO2 — CID 142742082

IUPAC4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine
SMILESC1=CC(OCCN2CCOCC2)=CC=I1
InChIInChI=1S/C11H16INO2/c1-3-12-4-2-11(1)15-10-7-13-5-8-14-9-6-13/h1-4H,5-10H2
InChIKeySCEMTQCYUXOXFJ-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.52
Rot. Bonds4

About 4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine

4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine (PubChem CID 142742082) has the molecular formula C11H16INO2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine
PubChem CID142742082
Molecular FormulaC11H16INO2
Molecular Weight321.16 g/mol
Exact Mass321.02
IUPAC Name4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine
SMILESC1=CC(OCCN2CCOCC2)=CC=I1
InChIInChI=1S/C11H16INO2/c1-3-12-4-2-11(1)15-10-7-13-5-8-14-9-6-13/h1-4H,5-10H2
InChIKeySCEMTQCYUXOXFJ-UHFFFAOYSA-N
XLogP1.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
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-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine?
The IUPAC name of 4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine (CID 142742082) is 4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine is C1=CC(OCCN2CCOCC2)=CC=I1.
What is the InChIKey of 4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine?
The InChIKey is SCEMTQCYUXOXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2/c1-3-12-4-2-11(1)15-10-7-13-5-8-14-9-6-13/h1-4H,5-10H2.
What are the key properties of 4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine?
4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine has a molecular weight of 321.16 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1λ3-iodacyclohexa-1,3,5-trien-4-yloxy)ethyl]morpholine is sourced from PubChem (CID 142742082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).