bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium

C18H20N2O5P+ — CID 175557844

IUPACbis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium
SMILESO=[P+](OC(CC=NO)c1ccccc1)OC(CC=NO)c1ccccc1
InChIInChI=1S/C18H19N2O5P/c21-19-13-11-17(15-7-3-1-4-8-15)24-26(23)25-18(12-14-20-22)16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2,(H-,21,22)/p+1
InChIKeyUCUNJTHWVRMBPQ-UHFFFAOYSA-O
MW375.34 g/mol
LogP4.86
Rot. Bonds10

About bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium

bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium (PubChem CID 175557844) has the molecular formula C18H20N2O5P+ and a molecular weight of 375.34 g/mol. Its IUPAC name is bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium
PubChem CID175557844
Molecular FormulaC18H20N2O5P+
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC Namebis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium
SMILESO=[P+](OC(CC=NO)c1ccccc1)OC(CC=NO)c1ccccc1
InChIInChI=1S/C18H19N2O5P/c21-19-13-11-17(15-7-3-1-4-8-15)24-26(23)25-18(12-14-20-22)16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2,(H-,21,22)/p+1
InChIKeyUCUNJTHWVRMBPQ-UHFFFAOYSA-O
XLogP4.86
TPSA100.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

N-(3,3-diphenylpropylidene)hydroxylamine
CID 174472978
bis(1,2-diphenylethoxy)-oxophosphanium
CID 57192035
dibenzhydryloxy(oxo)phosphanium
CID 57050024
(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid
CID 169084697
4-hydroxyimino-2-phenoxybutanoic acid
CID 173335347
(3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid
CID 169084805
hydroxy-oxo-(1-phenylpentoxy)phosphanium
CID 90299960
2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane
CID 14982487
benzhydryloxy-hydroxy-oxophosphanium
CID 66793238
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
1-phenylbut-3-enyl carbamate
CID 126509930
(4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium
CID 173458426

Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium?
The IUPAC name of bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium (CID 175557844) is bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium.
What is the SMILES notation for bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium?
The canonical SMILES for bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium is O=[P+](OC(CC=NO)c1ccccc1)OC(CC=NO)c1ccccc1.
What is the InChIKey of bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium?
The InChIKey is UCUNJTHWVRMBPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19N2O5P/c21-19-13-11-17(15-7-3-1-4-8-15)24-26(23)25-18(12-14-20-22)16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2,(H-,21,22)/p+1.
What are the key properties of bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium?
bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium has a molecular weight of 375.34 g/mol, XLogP of 4.86, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium is sourced from PubChem (CID 175557844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).