5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride

C9H13ClINO2 — CID 170874902

IUPAC5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride
SMILESCl.NC(CCO)c1ccc(I)c(O)c1
InChIInChI=1S/C9H12INO2.ClH/c10-7-2-1-6(5-9(7)13)8(11)3-4-12;/h1-2,5,8,12-13H,3-4,11H2;1H
InChIKeyIDMLXRBHJQBABS-UHFFFAOYSA-N
MW329.57 g/mol
LogP1.80
Rot. Bonds3

About 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride

5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride (PubChem CID 170874902) has the molecular formula C9H13ClINO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride.

Molecular Properties

Compound Name5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride
PubChem CID170874902
Molecular FormulaC9H13ClINO2
Molecular Weight329.57 g/mol
Exact Mass328.97
IUPAC Name5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride
SMILESCl.NC(CCO)c1ccc(I)c(O)c1
InChIInChI=1S/C9H12INO2.ClH/c10-7-2-1-6(5-9(7)13)8(11)3-4-12;/h1-2,5,8,12-13H,3-4,11H2;1H
InChIKeyIDMLXRBHJQBABS-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-amino-3-hydroxypropyl)-2-iodophenol
CID 131028751
5-(1-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170874409
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
6-[(1R)-1-amino-3-hydroxypropyl]naphthalen-2-ol
CID 131323903
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355
4-[(1S)-1-amino-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171217708
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride?
The IUPAC name of 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride (CID 170874902) is 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride.
What is the SMILES notation for 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride?
The canonical SMILES for 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride is Cl.NC(CCO)c1ccc(I)c(O)c1.
What is the InChIKey of 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride?
The InChIKey is IDMLXRBHJQBABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2.ClH/c10-7-2-1-6(5-9(7)13)8(11)3-4-12;/h1-2,5,8,12-13H,3-4,11H2;1H.
What are the key properties of 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride?
5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride has a molecular weight of 329.57 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride is sourced from PubChem (CID 170874902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).