(3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid

C14H22NO3P — CID 169084805

IUPAC(3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid
SMILESCCCCCP(=O)(O)C(CC=NO)c1ccccc1
InChIInChI=1S/C14H22NO3P/c1-2-3-7-12-19(17,18)14(10-11-15-16)13-8-5-4-6-9-13/h4-6,8-9,11,14,16H,2-3,7,10,12H2,1H3,(H,17,18)
InChIKeyXIUMUBXDELUJLP-UHFFFAOYSA-N
MW283.31 g/mol
LogP4.04
Rot. Bonds8

About (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid

(3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid (PubChem CID 169084805) has the molecular formula C14H22NO3P and a molecular weight of 283.31 g/mol. Its IUPAC name is (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid.

Molecular Properties

Compound Name(3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid
PubChem CID169084805
Molecular FormulaC14H22NO3P
Molecular Weight283.31 g/mol
Exact Mass283.13
IUPAC Name(3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid
SMILESCCCCCP(=O)(O)C(CC=NO)c1ccccc1
InChIInChI=1S/C14H22NO3P/c1-2-3-7-12-19(17,18)14(10-11-15-16)13-8-5-4-6-9-13/h4-6,8-9,11,14,16H,2-3,7,10,12H2,1H3,(H,17,18)
InChIKeyXIUMUBXDELUJLP-UHFFFAOYSA-N
XLogP4.04
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-amino-1-phenylpropyl)-butylphosphinic acid
CID 67375391
(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid
CID 169084697
(3-hydroxyimino-1-phenylbutyl)-propan-2-ylphosphinic acid
CID 169084814
(3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid
CID 169084708
butan-2-yl-(3-hydroxyimino-1-phenylbutyl)phosphinic acid
CID 169084802
bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium
CID 175557844
2-[butyl(hydroxy)phosphoryl]oxy-2-phenylacetic acid
CID 18472838
3-[butyl(hydroxy)phosphoryl]-2-phenylpropanoic acid
CID 18472835
[(1R)-1-diethoxyphosphorylheptyl]benzene
CID 166637247
[phenyl-(tridecylamino)methyl]phosphonic acid
CID 134917630
[(S)-(decylamino)-phenylmethyl]phosphonic acid
CID 98130579
phenoxy(undecyl)phosphinic acid
CID 87383274

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid?
The IUPAC name of (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid (CID 169084805) is (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid.
What is the SMILES notation for (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid?
The canonical SMILES for (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid is CCCCCP(=O)(O)C(CC=NO)c1ccccc1.
What is the InChIKey of (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid?
The InChIKey is XIUMUBXDELUJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO3P/c1-2-3-7-12-19(17,18)14(10-11-15-16)13-8-5-4-6-9-13/h4-6,8-9,11,14,16H,2-3,7,10,12H2,1H3,(H,17,18).
What are the key properties of (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid?
(3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid has a molecular weight of 283.31 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid is sourced from PubChem (CID 169084805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).