4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol

C15H14I3NO2 — CID 118753541

IUPAC4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol
SMILESC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
InChIInChI=1S/C15H14I3NO2/c1-8(19)4-9-5-12(17)15(13(18)6-9)21-10-2-3-14(20)11(16)7-10/h2-3,5-8,20H,4,19H2,1H3/t8-/m1/s1
InChIKeyBOEXMTMUPVZHFH-MRVPVSSYSA-N
MW620.99 g/mol
LogP4.89
Rot. Bonds4

About 4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol

4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol (PubChem CID 118753541) has the molecular formula C15H14I3NO2 and a molecular weight of 620.99 g/mol. Its IUPAC name is 4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol.

Molecular Properties

Compound Name4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol
PubChem CID118753541
Molecular FormulaC15H14I3NO2
Molecular Weight620.99 g/mol
Exact Mass620.82
IUPAC Name4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol
SMILESC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
InChIInChI=1S/C15H14I3NO2/c1-8(19)4-9-5-12(17)15(13(18)6-9)21-10-2-3-14(20)11(16)7-10/h2-3,5-8,20H,4,19H2,1H3/t8-/m1/s1
InChIKeyBOEXMTMUPVZHFH-MRVPVSSYSA-N
XLogP4.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.99
LogP ≤ 54.89
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-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol?
The IUPAC name of 4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol (CID 118753541) is 4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol.
What is the SMILES notation for 4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol?
The canonical SMILES for 4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol is C[C@@H](N)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1.
What is the InChIKey of 4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol?
The InChIKey is BOEXMTMUPVZHFH-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14I3NO2/c1-8(19)4-9-5-12(17)15(13(18)6-9)21-10-2-3-14(20)11(16)7-10/h2-3,5-8,20H,4,19H2,1H3/t8-/m1/s1.
What are the key properties of 4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol?
4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol has a molecular weight of 620.99 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-aminopropyl]-2,6-diiodophenoxy]-2-iodophenol is sourced from PubChem (CID 118753541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).