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

C9H12INO2 — CID 131028751

IUPAC5-(1-amino-3-hydroxypropyl)-2-iodophenol
SMILESNC(CCO)c1ccc(I)c(O)c1
InChIInChI=1S/C9H12INO2/c10-7-2-1-6(5-9(7)13)8(11)3-4-12/h1-2,5,8,12-13H,3-4,11H2
InChIKeyZZXRFFQCXLJBBR-UHFFFAOYSA-N
MW293.10 g/mol
LogP1.38
Rot. Bonds3

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

5-(1-amino-3-hydroxypropyl)-2-iodophenol (PubChem CID 131028751) has the molecular formula C9H12INO2 and a molecular weight of 293.10 g/mol. Its IUPAC name is 5-(1-amino-3-hydroxypropyl)-2-iodophenol.

Molecular Properties

Compound Name5-(1-amino-3-hydroxypropyl)-2-iodophenol
PubChem CID131028751
Molecular FormulaC9H12INO2
Molecular Weight293.10 g/mol
Exact Mass292.99
IUPAC Name5-(1-amino-3-hydroxypropyl)-2-iodophenol
SMILESNC(CCO)c1ccc(I)c(O)c1
InChIInChI=1S/C9H12INO2/c10-7-2-1-6(5-9(7)13)8(11)3-4-12/h1-2,5,8,12-13H,3-4,11H2
InChIKeyZZXRFFQCXLJBBR-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 51.38
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;hydrochloride
CID 170874902
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
5-(1-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170874409
6-[(1R)-1-amino-3-hydroxypropyl]naphthalen-2-ol
CID 131323903
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-hydroxypropyl)-2-iodophenol?
The IUPAC name of 5-(1-amino-3-hydroxypropyl)-2-iodophenol (CID 131028751) is 5-(1-amino-3-hydroxypropyl)-2-iodophenol.
What is the SMILES notation for 5-(1-amino-3-hydroxypropyl)-2-iodophenol?
The canonical SMILES for 5-(1-amino-3-hydroxypropyl)-2-iodophenol is NC(CCO)c1ccc(I)c(O)c1.
What is the InChIKey of 5-(1-amino-3-hydroxypropyl)-2-iodophenol?
The InChIKey is ZZXRFFQCXLJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2/c10-7-2-1-6(5-9(7)13)8(11)3-4-12/h1-2,5,8,12-13H,3-4,11H2.
What are the key properties of 5-(1-amino-3-hydroxypropyl)-2-iodophenol?
5-(1-amino-3-hydroxypropyl)-2-iodophenol has a molecular weight of 293.10 g/mol, XLogP of 1.38, 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 is sourced from PubChem (CID 131028751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).