3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine

C30H37NO3 — CID 166529965

IUPAC3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine
SMILESCCCc1ccc(CCc2nc(OCC3CCCCO3)cc(OCc3ccccc3)c2C)cc1
InChIInChI=1S/C30H37NO3/c1-3-9-24-13-15-25(16-14-24)17-18-28-23(2)29(33-21-26-10-5-4-6-11-26)20-30(31-28)34-22-27-12-7-8-19-32-27/h4-6,10-11,13-16,20,27H,3,7-9,12,17-19,21-22H2,1-2H3
InChIKeyAJAPXRGSQVNGSE-UHFFFAOYSA-N
MW459.63 g/mol
LogP6.65
Rot. Bonds11

About 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine

3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine (PubChem CID 166529965) has the molecular formula C30H37NO3 and a molecular weight of 459.63 g/mol. Its IUPAC name is 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine
PubChem CID166529965
Molecular FormulaC30H37NO3
Molecular Weight459.63 g/mol
Exact Mass459.28
IUPAC Name3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine
SMILESCCCc1ccc(CCc2nc(OCC3CCCCO3)cc(OCc3ccccc3)c2C)cc1
InChIInChI=1S/C30H37NO3/c1-3-9-24-13-15-25(16-14-24)17-18-28-23(2)29(33-21-26-10-5-4-6-11-26)20-30(31-28)34-22-27-12-7-8-19-32-27/h4-6,10-11,13-16,20,27H,3,7-9,12,17-19,21-22H2,1-2H3
InChIKeyAJAPXRGSQVNGSE-UHFFFAOYSA-N
XLogP6.65
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine?
The IUPAC name of 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine (CID 166529965) is 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine.
What is the SMILES notation for 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine?
The canonical SMILES for 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine is CCCc1ccc(CCc2nc(OCC3CCCCO3)cc(OCc3ccccc3)c2C)cc1.
What is the InChIKey of 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine?
The InChIKey is AJAPXRGSQVNGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO3/c1-3-9-24-13-15-25(16-14-24)17-18-28-23(2)29(33-21-26-10-5-4-6-11-26)20-30(31-28)34-22-27-12-7-8-19-32-27/h4-6,10-11,13-16,20,27H,3,7-9,12,17-19,21-22H2,1-2H3.
What are the key properties of 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine?
3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine has a molecular weight of 459.63 g/mol, XLogP of 6.65, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine is sourced from PubChem (CID 166529965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).