O-[(3-iodophenyl)methyl]hydroxylamine

C7H8INO — CID 25137641

IUPACO-[(3-iodophenyl)methyl]hydroxylamine
SMILESNOCc1cccc(I)c1
InChIInChI=1S/C7H8INO/c8-7-3-1-2-6(4-7)5-10-9/h1-4H,5,9H2
InChIKeyULWJONMSUDEJFR-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.68
Rot. Bonds2

About O-[(3-iodophenyl)methyl]hydroxylamine

O-[(3-iodophenyl)methyl]hydroxylamine (PubChem CID 25137641) has the molecular formula C7H8INO and a molecular weight of 249.05 g/mol. Its IUPAC name is O-[(3-iodophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-iodophenyl)methyl]hydroxylamine
PubChem CID25137641
Molecular FormulaC7H8INO
Molecular Weight249.05 g/mol
Exact Mass248.97
IUPAC NameO-[(3-iodophenyl)methyl]hydroxylamine
SMILESNOCc1cccc(I)c1
InChIInChI=1S/C7H8INO/c8-7-3-1-2-6(4-7)5-10-9/h1-4H,5,9H2
InChIKeyULWJONMSUDEJFR-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-iodophenyl)methyl hypoiodite
CID 167240125
1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene
CID 101169604
1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene
CID 101115926
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
(3-iodophenyl)methyl hydrogen sulfite
CID 174745935
1-iodo-3-(2-phenylethoxymethyl)benzene
CID 59371407
1-(chloromethyl)-3-iodobenzene
CID 13059978
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787
O-[(3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117276756
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine
CID 117293106
2-(3-iodophenyl)ethanol
CID 15169850

Frequently Asked Questions

What is the IUPAC name of O-[(3-iodophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-iodophenyl)methyl]hydroxylamine (CID 25137641) is O-[(3-iodophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-iodophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-iodophenyl)methyl]hydroxylamine is NOCc1cccc(I)c1.
What is the InChIKey of O-[(3-iodophenyl)methyl]hydroxylamine?
The InChIKey is ULWJONMSUDEJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO/c8-7-3-1-2-6(4-7)5-10-9/h1-4H,5,9H2.
What are the key properties of O-[(3-iodophenyl)methyl]hydroxylamine?
O-[(3-iodophenyl)methyl]hydroxylamine has a molecular weight of 249.05 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-iodophenyl)methyl]hydroxylamine is sourced from PubChem (CID 25137641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).