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

C15H16ClI2NO2 — CID 171265996

IUPAC2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride
SMILESCl.N[C@H](c1cc(I)cc(I)c1O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15I2NO2.ClH/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;1H/t13-,14+;/m0./s1
InChIKeyCBAPMNOIEBPVLV-LMRHVHIWSA-N
MW531.56 g/mol
LogP3.63
Rot. Bonds4

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

2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride (PubChem CID 171265996) has the molecular formula C15H16ClI2NO2 and a molecular weight of 531.56 g/mol. Its IUPAC name is 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride
PubChem CID171265996
Molecular FormulaC15H16ClI2NO2
Molecular Weight531.56 g/mol
Exact Mass530.90
IUPAC Name2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride
SMILESCl.N[C@H](c1cc(I)cc(I)c1O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H15I2NO2.ClH/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;1H/t13-,14+;/m0./s1
InChIKeyCBAPMNOIEBPVLV-LMRHVHIWSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 53.63
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'}

Analyze 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol
CID 171271661
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-[(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-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol;hydrochloride
CID 171271638
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]-4-bromo-6-methoxyphenol
CID 171264841
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-6-methoxyphenol;hydrochloride
CID 171270288
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride?
The IUPAC name of 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride (CID 171265996) is 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride.
What is the SMILES notation for 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride?
The canonical SMILES for 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride is Cl.N[C@H](c1cc(I)cc(I)c1O)[C@@H](O)Cc1ccccc1.
What is the InChIKey of 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride?
The InChIKey is CBAPMNOIEBPVLV-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H15I2NO2.ClH/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;1H/t13-,14+;/m0./s1.
What are the key properties of 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride?
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride has a molecular weight of 531.56 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride is sourced from PubChem (CID 171265996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).