[(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid

C8H12NO4P — CID 14968025

IUPAC[(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid
SMILESCc1ccc(C(NO)P(=O)(O)O)cc1
InChIInChI=1S/C8H12NO4P/c1-6-2-4-7(5-3-6)8(9-10)14(11,12)13/h2-5,8-10H,1H3,(H2,11,12,13)
InChIKeyNLYAPCYGMSIPPK-UHFFFAOYSA-N
MW217.16 g/mol
LogP1.15
Rot. Bonds3

About [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid

[(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid (PubChem CID 14968025) has the molecular formula C8H12NO4P and a molecular weight of 217.16 g/mol. Its IUPAC name is [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid
PubChem CID14968025
Molecular FormulaC8H12NO4P
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Name[(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid
SMILESCc1ccc(C(NO)P(=O)(O)O)cc1
InChIInChI=1S/C8H12NO4P/c1-6-2-4-7(5-3-6)8(9-10)14(11,12)13/h2-5,8-10H,1H3,(H2,11,12,13)
InChIKeyNLYAPCYGMSIPPK-UHFFFAOYSA-N
XLogP1.15
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 51.15
H-Bond Donors ≤ 54
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

[hydroxy-(4-methylphenyl)methyl]phosphonic acid
CID 21265713
N-[amino-(4-methylphenyl)methyl]hydroxylamine
CID 142151488
[(R)-acetamido(phenyl)methyl]phosphonic acid
CID 18634539
1-(4-methylphenyl)propan-2-ylphosphonic acid
CID 68827855
[(4-methylphenyl)-phosphonomethyl] sulfite
CID 57111583
(4-methylphenyl)methylphosphonic acid
CID 2773801
(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol
CID 15447343
[(S)-(3-methylanilino)-naphthalen-2-ylmethyl]phosphonic acid
CID 25333600
S-[bis(4-methylphenyl)methyl] ethanethioate
CID 12656516
2-(4-methylphenyl)propanoyl chloride
CID 14946079
2-(4-methylphenyl)propanedial
CID 2736930
1-[(E)-2,3-dichloro-1,4,4-tris(4-methylphenyl)but-2-enyl]-4-methylbenzene
CID 134884797

Frequently Asked Questions

What is the IUPAC name of [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid?
The IUPAC name of [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid (CID 14968025) is [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid.
What is the SMILES notation for [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid?
The canonical SMILES for [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid is Cc1ccc(C(NO)P(=O)(O)O)cc1.
What is the InChIKey of [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid?
The InChIKey is NLYAPCYGMSIPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO4P/c1-6-2-4-7(5-3-6)8(9-10)14(11,12)13/h2-5,8-10H,1H3,(H2,11,12,13).
What are the key properties of [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid?
[(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid has a molecular weight of 217.16 g/mol, XLogP of 1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(hydroxyamino)-(4-methylphenyl)methyl]phosphonic acid is sourced from PubChem (CID 14968025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).