4-(diphenoxyphosphorylmethyl)pyridine

C18H16NO3P — CID 152547329

IUPAC4-(diphenoxyphosphorylmethyl)pyridine
SMILESO=P(Cc1ccncc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H16NO3P/c20-23(15-16-11-13-19-14-12-16,21-17-7-3-1-4-8-17)22-18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyYMTGJFILEBNOFB-UHFFFAOYSA-N
MW325.30 g/mol
LogP4.93
Rot. Bonds6

About 4-(diphenoxyphosphorylmethyl)pyridine

4-(diphenoxyphosphorylmethyl)pyridine (PubChem CID 152547329) has the molecular formula C18H16NO3P and a molecular weight of 325.30 g/mol. Its IUPAC name is 4-(diphenoxyphosphorylmethyl)pyridine.

Molecular Properties

Compound Name4-(diphenoxyphosphorylmethyl)pyridine
PubChem CID152547329
Molecular FormulaC18H16NO3P
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name4-(diphenoxyphosphorylmethyl)pyridine
SMILESO=P(Cc1ccncc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H16NO3P/c20-23(15-16-11-13-19-14-12-16,21-17-7-3-1-4-8-17)22-18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyYMTGJFILEBNOFB-UHFFFAOYSA-N
XLogP4.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 54.93
H-Bond Donors ≤ 50
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 4-(diphenoxyphosphorylmethyl)pyridine?
The IUPAC name of 4-(diphenoxyphosphorylmethyl)pyridine (CID 152547329) is 4-(diphenoxyphosphorylmethyl)pyridine.
What is the SMILES notation for 4-(diphenoxyphosphorylmethyl)pyridine?
The canonical SMILES for 4-(diphenoxyphosphorylmethyl)pyridine is O=P(Cc1ccncc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 4-(diphenoxyphosphorylmethyl)pyridine?
The InChIKey is YMTGJFILEBNOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO3P/c20-23(15-16-11-13-19-14-12-16,21-17-7-3-1-4-8-17)22-18-9-5-2-6-10-18/h1-14H,15H2.
What are the key properties of 4-(diphenoxyphosphorylmethyl)pyridine?
4-(diphenoxyphosphorylmethyl)pyridine has a molecular weight of 325.30 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diphenoxyphosphorylmethyl)pyridine is sourced from PubChem (CID 152547329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).