(3,4,5-triiodophenyl)methanol

C7H5I3O — CID 53401071

IUPAC(3,4,5-triiodophenyl)methanol
SMILESOCc1cc(I)c(I)c(I)c1
InChIInChI=1S/C7H5I3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2
InChIKeyZEMRYPUNHUWEPE-UHFFFAOYSA-N
MW485.83 g/mol
LogP2.99
Rot. Bonds1

About (3,4,5-triiodophenyl)methanol

(3,4,5-triiodophenyl)methanol (PubChem CID 53401071) has the molecular formula C7H5I3O and a molecular weight of 485.83 g/mol. Its IUPAC name is (3,4,5-triiodophenyl)methanol.

Molecular Properties

Compound Name(3,4,5-triiodophenyl)methanol
PubChem CID53401071
Molecular FormulaC7H5I3O
Molecular Weight485.83 g/mol
Exact Mass485.75
IUPAC Name(3,4,5-triiodophenyl)methanol
SMILESOCc1cc(I)c(I)c(I)c1
InChIInChI=1S/C7H5I3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2
InChIKeyZEMRYPUNHUWEPE-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.83
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4,5-triiodophenyl)methanol?
The IUPAC name of (3,4,5-triiodophenyl)methanol (CID 53401071) is (3,4,5-triiodophenyl)methanol.
What is the SMILES notation for (3,4,5-triiodophenyl)methanol?
The canonical SMILES for (3,4,5-triiodophenyl)methanol is OCc1cc(I)c(I)c(I)c1.
What is the InChIKey of (3,4,5-triiodophenyl)methanol?
The InChIKey is ZEMRYPUNHUWEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5I3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2.
What are the key properties of (3,4,5-triiodophenyl)methanol?
(3,4,5-triiodophenyl)methanol has a molecular weight of 485.83 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-triiodophenyl)methanol is sourced from PubChem (CID 53401071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).