imino(diphenoxy)phosphanium;methoxyethane;styrene

C23H27NO3P+ — CID 161271486

IUPACimino(diphenoxy)phosphanium;methoxyethane;styrene
SMILESC=Cc1ccccc1.CCOC.[H]N=[P+](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11NO2P.C8H8.C3H8O/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-8-6-4-3-5-7-8;1-3-4-2/h1-10,13H;2-7H,1H2;3H2,1-2H3/q+1;;
InChIKeySZOVEZYVEFSJPS-UHFFFAOYSA-N
MW396.45 g/mol
LogP7.20
Rot. Bonds6

About imino(diphenoxy)phosphanium;methoxyethane;styrene

imino(diphenoxy)phosphanium;methoxyethane;styrene (PubChem CID 161271486) has the molecular formula C23H27NO3P+ and a molecular weight of 396.45 g/mol. Its IUPAC name is imino(diphenoxy)phosphanium;methoxyethane;styrene.

Molecular Properties

Compound Nameimino(diphenoxy)phosphanium;methoxyethane;styrene
PubChem CID161271486
Molecular FormulaC23H27NO3P+
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Nameimino(diphenoxy)phosphanium;methoxyethane;styrene
SMILESC=Cc1ccccc1.CCOC.[H]N=[P+](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11NO2P.C8H8.C3H8O/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-8-6-4-3-5-7-8;1-3-4-2/h1-10,13H;2-7H,1H2;3H2,1-2H3/q+1;;
InChIKeySZOVEZYVEFSJPS-UHFFFAOYSA-N
XLogP7.20
TPSA51.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imino(diphenoxy)phosphanium;methoxyethane;styrene?
The IUPAC name of imino(diphenoxy)phosphanium;methoxyethane;styrene (CID 161271486) is imino(diphenoxy)phosphanium;methoxyethane;styrene.
What is the SMILES notation for imino(diphenoxy)phosphanium;methoxyethane;styrene?
The canonical SMILES for imino(diphenoxy)phosphanium;methoxyethane;styrene is C=Cc1ccccc1.CCOC.[H]N=[P+](Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of imino(diphenoxy)phosphanium;methoxyethane;styrene?
The InChIKey is SZOVEZYVEFSJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2P.C8H8.C3H8O/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-2-8-6-4-3-5-7-8;1-3-4-2/h1-10,13H;2-7H,1H2;3H2,1-2H3/q+1;;.
What are the key properties of imino(diphenoxy)phosphanium;methoxyethane;styrene?
imino(diphenoxy)phosphanium;methoxyethane;styrene has a molecular weight of 396.45 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino(diphenoxy)phosphanium;methoxyethane;styrene is sourced from PubChem (CID 161271486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).