[(4-chlorophenyl)methylamino]oxy-methylphosphinic acid

C8H11ClNO3P — CID 118158237

IUPAC[(4-chlorophenyl)methylamino]oxy-methylphosphinic acid
SMILESCP(=O)(O)ONCc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClNO3P/c1-14(11,12)13-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyXDJNAHNOBFJCQW-UHFFFAOYSA-N
MW235.61 g/mol
LogP2.18
Rot. Bonds4

About [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid

[(4-chlorophenyl)methylamino]oxy-methylphosphinic acid (PubChem CID 118158237) has the molecular formula C8H11ClNO3P and a molecular weight of 235.61 g/mol. Its IUPAC name is [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[(4-chlorophenyl)methylamino]oxy-methylphosphinic acid
PubChem CID118158237
Molecular FormulaC8H11ClNO3P
Molecular Weight235.61 g/mol
Exact Mass235.02
IUPAC Name[(4-chlorophenyl)methylamino]oxy-methylphosphinic acid
SMILESCP(=O)(O)ONCc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClNO3P/c1-14(11,12)13-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyXDJNAHNOBFJCQW-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.61
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720707
1,4-dichlorobenzene;phosphoric acid
CID 175035024
1-(4-chlorophenyl)-N-oxidomethanamine
CID 162516250
N-[methoxy(methyl)phosphoryl]oxy-1-phenylmethanamine
CID 91066973
bis[1-[(4-chlorophenyl)methoxy]propan-2-yl] hydrogen phosphate
CID 21023152
1,2-bis[(4-chlorophenyl)methyl]hydrazine;dihydrochloride
CID 20519808
N-[(4-chlorophenyl)methyl]thiohydroxylamine
CID 142862441
(benzylamino) phenyl hydrogen phosphate
CID 154386479
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 17283229
methyl 4-[(4-chlorophenyl)methylamino]-4-oxobutanoate
CID 94691458

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid?
The IUPAC name of [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid (CID 118158237) is [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid.
What is the SMILES notation for [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid?
The canonical SMILES for [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid is CP(=O)(O)ONCc1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid?
The InChIKey is XDJNAHNOBFJCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClNO3P/c1-14(11,12)13-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid?
[(4-chlorophenyl)methylamino]oxy-methylphosphinic acid has a molecular weight of 235.61 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)methylamino]oxy-methylphosphinic acid is sourced from PubChem (CID 118158237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).