4-(3-iodophenyl)morpholine

C10H12INO — CID 54536434

IUPAC4-(3-iodophenyl)morpholine
SMILESIc1cccc(N2CCOCC2)c1
InChIInChI=1S/C10H12INO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2
InChIKeyZACIRAVARVYABO-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.13
Rot. Bonds1

About 4-(3-iodophenyl)morpholine

4-(3-iodophenyl)morpholine (PubChem CID 54536434) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is 4-(3-iodophenyl)morpholine.

Molecular Properties

Compound Name4-(3-iodophenyl)morpholine
PubChem CID54536434
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name4-(3-iodophenyl)morpholine
SMILESIc1cccc(N2CCOCC2)c1
InChIInChI=1S/C10H12INO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2
InChIKeyZACIRAVARVYABO-UHFFFAOYSA-N
XLogP2.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-iodophenyl)morpholine?
The IUPAC name of 4-(3-iodophenyl)morpholine (CID 54536434) is 4-(3-iodophenyl)morpholine.
What is the SMILES notation for 4-(3-iodophenyl)morpholine?
The canonical SMILES for 4-(3-iodophenyl)morpholine is Ic1cccc(N2CCOCC2)c1.
What is the InChIKey of 4-(3-iodophenyl)morpholine?
The InChIKey is ZACIRAVARVYABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2.
What are the key properties of 4-(3-iodophenyl)morpholine?
4-(3-iodophenyl)morpholine has a molecular weight of 289.12 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodophenyl)morpholine is sourced from PubChem (CID 54536434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).