4-(2-chloro-4-iodoanilino)oxolan-3-ol

C10H11ClINO2 — CID 107606411

IUPAC4-(2-chloro-4-iodoanilino)oxolan-3-ol
SMILESOC1COCC1Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H11ClINO2/c11-7-3-6(12)1-2-8(7)13-9-4-15-5-10(9)14/h1-3,9-10,13-14H,4-5H2
InChIKeyGHCFBTKDLYBIBB-UHFFFAOYSA-N
MW339.56 g/mol
LogP2.12
Rot. Bonds2

About 4-(2-chloro-4-iodoanilino)oxolan-3-ol

4-(2-chloro-4-iodoanilino)oxolan-3-ol (PubChem CID 107606411) has the molecular formula C10H11ClINO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 4-(2-chloro-4-iodoanilino)oxolan-3-ol.

Molecular Properties

Compound Name4-(2-chloro-4-iodoanilino)oxolan-3-ol
PubChem CID107606411
Molecular FormulaC10H11ClINO2
Molecular Weight339.56 g/mol
Exact Mass338.95
IUPAC Name4-(2-chloro-4-iodoanilino)oxolan-3-ol
SMILESOC1COCC1Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H11ClINO2/c11-7-3-6(12)1-2-8(7)13-9-4-15-5-10(9)14/h1-3,9-10,13-14H,4-5H2
InChIKeyGHCFBTKDLYBIBB-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-chloro-4-iodoanilino)oxolan-3-ol?
The IUPAC name of 4-(2-chloro-4-iodoanilino)oxolan-3-ol (CID 107606411) is 4-(2-chloro-4-iodoanilino)oxolan-3-ol.
What is the SMILES notation for 4-(2-chloro-4-iodoanilino)oxolan-3-ol?
The canonical SMILES for 4-(2-chloro-4-iodoanilino)oxolan-3-ol is OC1COCC1Nc1ccc(I)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-iodoanilino)oxolan-3-ol?
The InChIKey is GHCFBTKDLYBIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO2/c11-7-3-6(12)1-2-8(7)13-9-4-15-5-10(9)14/h1-3,9-10,13-14H,4-5H2.
What are the key properties of 4-(2-chloro-4-iodoanilino)oxolan-3-ol?
4-(2-chloro-4-iodoanilino)oxolan-3-ol has a molecular weight of 339.56 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-iodoanilino)oxolan-3-ol is sourced from PubChem (CID 107606411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).