3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine

C23H24NO2P — CID 143866705

IUPAC3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine
SMILESCCc1ccc(-c2ccc(COCCCP=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H24NO2P/c1-2-18-9-11-19(12-10-18)22-14-13-21(17-26-15-6-16-27-25)24-23(22)20-7-4-3-5-8-20/h3-5,7-14H,2,6,15-17H2,1H3
InChIKeyGWBWWTRYQMSGAO-UHFFFAOYSA-N
MW377.42 g/mol
LogP6.18
Rot. Bonds9

About 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine

3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine (PubChem CID 143866705) has the molecular formula C23H24NO2P and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine
PubChem CID143866705
Molecular FormulaC23H24NO2P
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine
SMILESCCc1ccc(-c2ccc(COCCCP=O)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H24NO2P/c1-2-18-9-11-19(12-10-18)22-14-13-21(17-26-15-6-16-27-25)24-23(22)20-7-4-3-5-8-20/h3-5,7-14H,2,6,15-17H2,1H3
InChIKeyGWBWWTRYQMSGAO-UHFFFAOYSA-N
XLogP6.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine?
The IUPAC name of 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine (CID 143866705) is 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine.
What is the SMILES notation for 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine?
The canonical SMILES for 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine is CCc1ccc(-c2ccc(COCCCP=O)nc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine?
The InChIKey is GWBWWTRYQMSGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NO2P/c1-2-18-9-11-19(12-10-18)22-14-13-21(17-26-15-6-16-27-25)24-23(22)20-7-4-3-5-8-20/h3-5,7-14H,2,6,15-17H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine?
3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine has a molecular weight of 377.42 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-phenyl-6-(3-phosphorosopropoxymethyl)pyridine is sourced from PubChem (CID 143866705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).