O-(4-methylphenyl)hydroxylamine

C7H9NO — CID 12571732

IUPACO-(4-methylphenyl)hydroxylamine
SMILESCc1ccc(ON)cc1
InChIInChI=1S/C7H9NO/c1-6-2-4-7(9-8)5-3-6/h2-5H,8H2,1H3
InChIKeyQTJSTTBYEOELOW-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.25
Rot. Bonds1

About O-(4-methylphenyl)hydroxylamine

O-(4-methylphenyl)hydroxylamine (PubChem CID 12571732) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is O-(4-methylphenyl)hydroxylamine.

Molecular Properties

Compound NameO-(4-methylphenyl)hydroxylamine
PubChem CID12571732
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameO-(4-methylphenyl)hydroxylamine
SMILESCc1ccc(ON)cc1
InChIInChI=1S/C7H9NO/c1-6-2-4-7(9-8)5-3-6/h2-5H,8H2,1H3
InChIKeyQTJSTTBYEOELOW-UHFFFAOYSA-N
XLogP1.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(4-methylphenyl)hydroxylamine?
The IUPAC name of O-(4-methylphenyl)hydroxylamine (CID 12571732) is O-(4-methylphenyl)hydroxylamine.
What is the SMILES notation for O-(4-methylphenyl)hydroxylamine?
The canonical SMILES for O-(4-methylphenyl)hydroxylamine is Cc1ccc(ON)cc1.
What is the InChIKey of O-(4-methylphenyl)hydroxylamine?
The InChIKey is QTJSTTBYEOELOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-2-4-7(9-8)5-3-6/h2-5H,8H2,1H3.
What are the key properties of O-(4-methylphenyl)hydroxylamine?
O-(4-methylphenyl)hydroxylamine has a molecular weight of 123.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-methylphenyl)hydroxylamine is sourced from PubChem (CID 12571732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).