benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane

C20H22NO3P — CID 154620388

IUPACbenzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane
SMILESCCOP([O-])(Cc1ccccc1)(Oc1ccccc1)[n+]1ccccc1
InChIInChI=1S/C20H22NO3P/c1-2-23-25(22,21-16-10-5-11-17-21,18-19-12-6-3-7-13-19)24-20-14-8-4-9-15-20/h3-17H,2,18H2,1H3
InChIKeyAVPMNQVVDDFYGW-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.71
Rot. Bonds7

About benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane

benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane (PubChem CID 154620388) has the molecular formula C20H22NO3P and a molecular weight of 355.37 g/mol. Its IUPAC name is benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane.

Molecular Properties

Compound Namebenzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane
PubChem CID154620388
Molecular FormulaC20H22NO3P
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Namebenzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane
SMILESCCOP([O-])(Cc1ccccc1)(Oc1ccccc1)[n+]1ccccc1
InChIInChI=1S/C20H22NO3P/c1-2-23-25(22,21-16-10-5-11-17-21,18-19-12-6-3-7-13-19)24-20-14-8-4-9-15-20/h3-17H,2,18H2,1H3
InChIKeyAVPMNQVVDDFYGW-UHFFFAOYSA-N
XLogP3.71
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane?
The IUPAC name of benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane (CID 154620388) is benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane.
What is the SMILES notation for benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane?
The canonical SMILES for benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane is CCOP([O-])(Cc1ccccc1)(Oc1ccccc1)[n+]1ccccc1.
What is the InChIKey of benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane?
The InChIKey is AVPMNQVVDDFYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22NO3P/c1-2-23-25(22,21-16-10-5-11-17-21,18-19-12-6-3-7-13-19)24-20-14-8-4-9-15-20/h3-17H,2,18H2,1H3.
What are the key properties of benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane?
benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane has a molecular weight of 355.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethoxy-oxido-phenoxy-pyridin-1-ium-1-yl-λ5-phosphane is sourced from PubChem (CID 154620388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).