O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride

C13H14ClNO — CID 22989894

IUPACO-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13NO.ClH/c14-15-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;/h1-9H,10,14H2;1H
InChIKeyDSBWIXKKLSGJFJ-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.17
Rot. Bonds3

About O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride

O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 22989894) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride
PubChem CID22989894
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC NameO-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13NO.ClH/c14-15-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;/h1-9H,10,14H2;1H
InChIKeyDSBWIXKKLSGJFJ-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.17
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-phenylphenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride (CID 22989894) is O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is DSBWIXKKLSGJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c14-15-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;/h1-9H,10,14H2;1H.
What are the key properties of O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride?
O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-phenylphenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 22989894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).