dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium

C10H15NO2P+ — CID 56606467

IUPACdihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium
SMILES[H]/N=C(\CCc1ccccc1)[P+](C)(O)O
InChIInChI=1S/C10H15NO2P/c1-14(12,13)10(11)8-7-9-5-3-2-4-6-9/h2-6,11-13H,7-8H2,1H3/q+1/b11-10+
InChIKeyMYBQMPIGXXSERK-ZHACJKMWSA-N
MW212.21 g/mol
LogP2.06
Rot. Bonds4

About dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium

dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium (PubChem CID 56606467) has the molecular formula C10H15NO2P+ and a molecular weight of 212.21 g/mol. Its IUPAC name is dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium.

Molecular Properties

Compound Namedihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium
PubChem CID56606467
Molecular FormulaC10H15NO2P+
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Namedihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium
SMILES[H]/N=C(\CCc1ccccc1)[P+](C)(O)O
InChIInChI=1S/C10H15NO2P/c1-14(12,13)10(11)8-7-9-5-3-2-4-6-9/h2-6,11-13H,7-8H2,1H3/q+1/b11-10+
InChIKeyMYBQMPIGXXSERK-ZHACJKMWSA-N
XLogP2.06
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium?
The IUPAC name of dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium (CID 56606467) is dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium.
What is the SMILES notation for dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium?
The canonical SMILES for dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium is [H]/N=C(\CCc1ccccc1)[P+](C)(O)O.
What is the InChIKey of dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium?
The InChIKey is MYBQMPIGXXSERK-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15NO2P/c1-14(12,13)10(11)8-7-9-5-3-2-4-6-9/h2-6,11-13H,7-8H2,1H3/q+1/b11-10+.
What are the key properties of dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium?
dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium has a molecular weight of 212.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-(3-phenylpropanimidoyl)phosphanium is sourced from PubChem (CID 56606467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).