3-cyclooctyl-2-phenylmethoxypyridine

C20H25NO — CID 163522347

IUPAC3-cyclooctyl-2-phenylmethoxypyridine
SMILESc1ccc(COc2ncccc2C2CCCCCCC2)cc1
InChIInChI=1S/C20H25NO/c1-2-7-12-18(13-8-3-1)19-14-9-15-21-20(19)22-16-17-10-5-4-6-11-17/h4-6,9-11,14-15,18H,1-3,7-8,12-13,16H2
InChIKeyDLXARZWZCJSZTO-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.49
Rot. Bonds4

About 3-cyclooctyl-2-phenylmethoxypyridine

3-cyclooctyl-2-phenylmethoxypyridine (PubChem CID 163522347) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-cyclooctyl-2-phenylmethoxypyridine.

Molecular Properties

Compound Name3-cyclooctyl-2-phenylmethoxypyridine
PubChem CID163522347
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-cyclooctyl-2-phenylmethoxypyridine
SMILESc1ccc(COc2ncccc2C2CCCCCCC2)cc1
InChIInChI=1S/C20H25NO/c1-2-7-12-18(13-8-3-1)19-14-9-15-21-20(19)22-16-17-10-5-4-6-11-17/h4-6,9-11,14-15,18H,1-3,7-8,12-13,16H2
InChIKeyDLXARZWZCJSZTO-UHFFFAOYSA-N
XLogP5.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclooctyl-2-phenylmethoxypyridine 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 3-cyclooctyl-2-phenylmethoxypyridine?
The IUPAC name of 3-cyclooctyl-2-phenylmethoxypyridine (CID 163522347) is 3-cyclooctyl-2-phenylmethoxypyridine.
What is the SMILES notation for 3-cyclooctyl-2-phenylmethoxypyridine?
The canonical SMILES for 3-cyclooctyl-2-phenylmethoxypyridine is c1ccc(COc2ncccc2C2CCCCCCC2)cc1.
What is the InChIKey of 3-cyclooctyl-2-phenylmethoxypyridine?
The InChIKey is DLXARZWZCJSZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-7-12-18(13-8-3-1)19-14-9-15-21-20(19)22-16-17-10-5-4-6-11-17/h4-6,9-11,14-15,18H,1-3,7-8,12-13,16H2.
What are the key properties of 3-cyclooctyl-2-phenylmethoxypyridine?
3-cyclooctyl-2-phenylmethoxypyridine has a molecular weight of 295.43 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-2-phenylmethoxypyridine is sourced from PubChem (CID 163522347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).