[2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium

C20H25NO4P+ — CID 67676337

IUPAC[2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium
SMILESCOc1ccc(C(CC2CNC(Cc3ccccc3)CO2)[P+](=O)O)cc1
InChIInChI=1S/C20H24NO4P/c1-24-18-9-7-16(8-10-18)20(26(22)23)12-19-13-21-17(14-25-19)11-15-5-3-2-4-6-15/h2-10,17,19-21H,11-14H2,1H3/p+1
InChIKeyHIJJYCBHIBOVDT-UHFFFAOYSA-O
MW374.40 g/mol
LogP3.46
Rot. Bonds7

About [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium

[2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium (PubChem CID 67676337) has the molecular formula C20H25NO4P+ and a molecular weight of 374.40 g/mol. Its IUPAC name is [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium
PubChem CID67676337
Molecular FormulaC20H25NO4P+
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name[2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium
SMILESCOc1ccc(C(CC2CNC(Cc3ccccc3)CO2)[P+](=O)O)cc1
InChIInChI=1S/C20H24NO4P/c1-24-18-9-7-16(8-10-18)20(26(22)23)12-19-13-21-17(14-25-19)11-15-5-3-2-4-6-15/h2-10,17,19-21H,11-14H2,1H3/p+1
InChIKeyHIJJYCBHIBOVDT-UHFFFAOYSA-O
XLogP3.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
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 [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium?
The IUPAC name of [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium (CID 67676337) is [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium?
The canonical SMILES for [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium is COc1ccc(C(CC2CNC(Cc3ccccc3)CO2)[P+](=O)O)cc1.
What is the InChIKey of [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium?
The InChIKey is HIJJYCBHIBOVDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24NO4P/c1-24-18-9-7-16(8-10-18)20(26(22)23)12-19-13-21-17(14-25-19)11-15-5-3-2-4-6-15/h2-10,17,19-21H,11-14H2,1H3/p+1.
What are the key properties of [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium?
[2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium has a molecular weight of 374.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 67676337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).