(4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride

C9H8ClI2NO3 — CID 171184780

IUPAC(4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2cc(I)cc(I)c2O)CO1
InChIInChI=1S/C9H7I2NO3.ClH/c10-4-1-5(8(13)6(11)2-4)7-3-15-9(14)12-7;/h1-2,7,13H,3H2,(H,12,14);1H/t7-;/m0./s1
InChIKeyZHFWRERGXWXGHE-FJXQXJEOSA-N
MW467.43 g/mol
LogP2.80
Rot. Bonds1

About (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184780) has the molecular formula C9H8ClI2NO3 and a molecular weight of 467.43 g/mol. Its IUPAC name is (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184780
Molecular FormulaC9H8ClI2NO3
Molecular Weight467.43 g/mol
Exact Mass466.83
IUPAC Name(4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2cc(I)cc(I)c2O)CO1
InChIInChI=1S/C9H7I2NO3.ClH/c10-4-1-5(8(13)6(11)2-4)7-3-15-9(14)12-7;/h1-2,7,13H,3H2,(H,12,14);1H/t7-;/m0./s1
InChIKeyZHFWRERGXWXGHE-FJXQXJEOSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 52.80
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'}

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Related Compounds

tert-butyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate
CID 69109016
(S)-(-)-4-(4-hydroxybenzyl)-2-oxazolidinone
CID 11769373
(4S)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 102589156
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)but-3-enyl]carbamate
CID 134858894
2-[1-(5-Fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate
CID 83210276
2-[1-(4-Fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate
CID 83211985
4-(3-Fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 107693842
4-(3-Fluoro-5-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 116455127
4-(5-Fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130147402
4-(2-Fluoro-6-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130147417
4-(3-Fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130151533
(4S)-4-(3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130665690

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184780) is (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@H](c2cc(I)cc(I)c2O)CO1.
What is the InChIKey of (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is ZHFWRERGXWXGHE-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H7I2NO3.ClH/c10-4-1-5(8(13)6(11)2-4)7-3-15-9(14)12-7;/h1-2,7,13H,3H2,(H,12,14);1H/t7-;/m0./s1.
What are the key properties of (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 467.43 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).