3-(hydroxyamino)propoxy-oxo-phenylphosphanium

C9H13NO3P+ — CID 88775659

IUPAC3-(hydroxyamino)propoxy-oxo-phenylphosphanium
SMILESO=[P+](OCCCNO)c1ccccc1
InChIInChI=1S/C9H13NO3P/c11-10-7-4-8-13-14(12)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/q+1
InChIKeyZEWHWVLPRCUPAU-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.44
Rot. Bonds6

About 3-(hydroxyamino)propoxy-oxo-phenylphosphanium

3-(hydroxyamino)propoxy-oxo-phenylphosphanium (PubChem CID 88775659) has the molecular formula C9H13NO3P+ and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-(hydroxyamino)propoxy-oxo-phenylphosphanium.

Molecular Properties

Compound Name3-(hydroxyamino)propoxy-oxo-phenylphosphanium
PubChem CID88775659
Molecular FormulaC9H13NO3P+
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name3-(hydroxyamino)propoxy-oxo-phenylphosphanium
SMILESO=[P+](OCCCNO)c1ccccc1
InChIInChI=1S/C9H13NO3P/c11-10-7-4-8-13-14(12)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/q+1
InChIKeyZEWHWVLPRCUPAU-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptoxy-oxo-phenylphosphanium
CID 14512427
5-methylhexoxy-oxo-phenylphosphanium
CID 175576882
3-hydroxypropanoyloxy-oxo-phenylphosphanium
CID 175482625
N-(3-phenylsulfanylpropyl)hydroxylamine
CID 90764549
N-(3-phenylpropyl)hydroxylamine;hydrobromide
CID 175175085
magnesium;hydride;oxo-phenoxy-phenylphosphanium
CID 173003254
methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium
CID 162300033
N-[4-(3-phenoxypropylamino)phenyl]acetamide
CID 60678376
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
methanol;oxo(diphenyl)phosphanium
CID 174996285
3-[[2,5-difluoro-4-(6-phenylhexyl)phenyl]methylamino]propoxy-hydroxy-oxophosphanium
CID 90399597
N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine
CID 166843275

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)propoxy-oxo-phenylphosphanium?
The IUPAC name of 3-(hydroxyamino)propoxy-oxo-phenylphosphanium (CID 88775659) is 3-(hydroxyamino)propoxy-oxo-phenylphosphanium.
What is the SMILES notation for 3-(hydroxyamino)propoxy-oxo-phenylphosphanium?
The canonical SMILES for 3-(hydroxyamino)propoxy-oxo-phenylphosphanium is O=[P+](OCCCNO)c1ccccc1.
What is the InChIKey of 3-(hydroxyamino)propoxy-oxo-phenylphosphanium?
The InChIKey is ZEWHWVLPRCUPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3P/c11-10-7-4-8-13-14(12)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/q+1.
What are the key properties of 3-(hydroxyamino)propoxy-oxo-phenylphosphanium?
3-(hydroxyamino)propoxy-oxo-phenylphosphanium has a molecular weight of 214.18 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)propoxy-oxo-phenylphosphanium is sourced from PubChem (CID 88775659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).