2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine

C12H11ClIN3O2 — CID 62868287

IUPAC2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2cccc(I)c2)n1
InChIInChI=1S/C12H11ClIN3O2/c1-7(2)18-11-15-10(13)16-12(17-11)19-9-5-3-4-8(14)6-9/h3-7H,1-2H3
InChIKeySARHKPWHZYORFU-UHFFFAOYSA-N
MW391.60 g/mol
LogP3.71
Rot. Bonds4

About 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62868287) has the molecular formula C12H11ClIN3O2 and a molecular weight of 391.60 g/mol. Its IUPAC name is 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62868287
Molecular FormulaC12H11ClIN3O2
Molecular Weight391.60 g/mol
Exact Mass390.96
IUPAC Name2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2cccc(I)c2)n1
InChIInChI=1S/C12H11ClIN3O2/c1-7(2)18-11-15-10(13)16-12(17-11)19-9-5-3-4-8(14)6-9/h3-7H,1-2H3
InChIKeySARHKPWHZYORFU-UHFFFAOYSA-N
XLogP3.71
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine 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-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine (CID 62868287) is 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(Oc2cccc(I)c2)n1.
What is the InChIKey of 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is SARHKPWHZYORFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3O2/c1-7(2)18-11-15-10(13)16-12(17-11)19-9-5-3-4-8(14)6-9/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 391.60 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62868287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).