2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol

C10H11I2NO2 — CID 131483817

IUPAC2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol
SMILESOc1c(I)cc(I)cc1[C@@H]1COCCN1
InChIInChI=1S/C10H11I2NO2/c11-6-3-7(10(14)8(12)4-6)9-5-15-2-1-13-9/h3-4,9,13-14H,1-2,5H2/t9-/m0/s1
InChIKeyUBMAYNKJDDFEHS-VIFPVBQESA-N
MW431.01 g/mol
LogP2.26
Rot. Bonds1

About 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol

2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol (PubChem CID 131483817) has the molecular formula C10H11I2NO2 and a molecular weight of 431.01 g/mol. Its IUPAC name is 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol
PubChem CID131483817
Molecular FormulaC10H11I2NO2
Molecular Weight431.01 g/mol
Exact Mass430.89
IUPAC Name2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol
SMILESOc1c(I)cc(I)cc1[C@@H]1COCCN1
InChIInChI=1S/C10H11I2NO2/c11-6-3-7(10(14)8(12)4-6)9-5-15-2-1-13-9/h3-4,9,13-14H,1-2,5H2/t9-/m0/s1
InChIKeyUBMAYNKJDDFEHS-VIFPVBQESA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.01
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol?
The IUPAC name of 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol (CID 131483817) is 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol.
What is the SMILES notation for 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol?
The canonical SMILES for 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol is Oc1c(I)cc(I)cc1[C@@H]1COCCN1.
What is the InChIKey of 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol?
The InChIKey is UBMAYNKJDDFEHS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11I2NO2/c11-6-3-7(10(14)8(12)4-6)9-5-15-2-1-13-9/h3-4,9,13-14H,1-2,5H2/t9-/m0/s1.
What are the key properties of 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol?
2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol has a molecular weight of 431.01 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol is sourced from PubChem (CID 131483817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).