2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol

C15H15I2NO2 — CID 171271661

IUPAC2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol
SMILESN[C@@H](c1cc(I)cc(I)c1O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C15H15I2NO2/c16-10-7-11(15(20)12(17)8-10)14(18)13(19)6-9-4-2-1-3-5-9/h1-5,7-8,13-14,19-20H,6,18H2/t13-,14+/m1/s1
InChIKeyHLRUMYBXQFSUGM-KGLIPLIRSA-N
MW495.10 g/mol
LogP3.20
Rot. Bonds4

About 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol

2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol (PubChem CID 171271661) has the molecular formula C15H15I2NO2 and a molecular weight of 495.10 g/mol. Its IUPAC name is 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol
PubChem CID171271661
Molecular FormulaC15H15I2NO2
Molecular Weight495.10 g/mol
Exact Mass494.92
IUPAC Name2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol
SMILESN[C@@H](c1cc(I)cc(I)c1O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C15H15I2NO2/c16-10-7-11(15(20)12(17)8-10)14(18)13(19)6-9-4-2-1-3-5-9/h1-5,7-8,13-14,19-20H,6,18H2/t13-,14+/m1/s1
InChIKeyHLRUMYBXQFSUGM-KGLIPLIRSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.10
LogP ≤ 53.20
H-Bond Donors ≤ 53
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

2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride
CID 171265996
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
CID 171261356
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,2-diol
CID 171261361
2-[(1S,2R)-1-amino-2-hydroxyhexyl]-4,6-diiodophenol
CID 171271657
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol
CID 130604734
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,4-diol;hydrochloride
CID 171261394
(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264272
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4-bromo-6-methoxyphenol
CID 171264841
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
CID 171263774
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4,6-diiodophenol
CID 171265985
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4,6-diiodophenol
CID 171271640
2-[[(2S,3S)-3-hydroxy-1-phenylpentan-2-yl]iminomethyl]-4,6-diiodophenol
CID 135952342

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol?
The IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol (CID 171271661) is 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol?
The canonical SMILES for 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol is N[C@@H](c1cc(I)cc(I)c1O)[C@H](O)Cc1ccccc1.
What is the InChIKey of 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol?
The InChIKey is HLRUMYBXQFSUGM-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H15I2NO2/c16-10-7-11(15(20)12(17)8-10)14(18)13(19)6-9-4-2-1-3-5-9/h1-5,7-8,13-14,19-20H,6,18H2/t13-,14+/m1/s1.
What are the key properties of 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol?
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol has a molecular weight of 495.10 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol is sourced from PubChem (CID 171271661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).