2-(2-cyclooctyl-4-methoxyphenyl)pyridine

C20H25NO — CID 102473912

IUPAC2-(2-cyclooctyl-4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccccn2)c(C2CCCCCCC2)c1
InChIInChI=1S/C20H25NO/c1-22-17-12-13-18(20-11-7-8-14-21-20)19(15-17)16-9-5-3-2-4-6-10-16/h7-8,11-16H,2-6,9-10H2,1H3
InChIKeyIGTVSPRWTJHYAY-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.59
Rot. Bonds3

About 2-(2-cyclooctyl-4-methoxyphenyl)pyridine

2-(2-cyclooctyl-4-methoxyphenyl)pyridine (PubChem CID 102473912) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(2-cyclooctyl-4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-(2-cyclooctyl-4-methoxyphenyl)pyridine
PubChem CID102473912
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(2-cyclooctyl-4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccccn2)c(C2CCCCCCC2)c1
InChIInChI=1S/C20H25NO/c1-22-17-12-13-18(20-11-7-8-14-21-20)19(15-17)16-9-5-3-2-4-6-10-16/h7-8,11-16H,2-6,9-10H2,1H3
InChIKeyIGTVSPRWTJHYAY-UHFFFAOYSA-N
XLogP5.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-ethynyl-5-methoxyphenyl)pyridine
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2-(2,6-dimethoxy-4-pyridin-2-ylnaphthalen-1-yl)pyridine
CID 169050230
1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline
CID 18172454
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
CID 90770996
CID 90770996
2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine
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2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclooctyl-4-methoxyphenyl)pyridine?
The IUPAC name of 2-(2-cyclooctyl-4-methoxyphenyl)pyridine (CID 102473912) is 2-(2-cyclooctyl-4-methoxyphenyl)pyridine.
What is the SMILES notation for 2-(2-cyclooctyl-4-methoxyphenyl)pyridine?
The canonical SMILES for 2-(2-cyclooctyl-4-methoxyphenyl)pyridine is COc1ccc(-c2ccccn2)c(C2CCCCCCC2)c1.
What is the InChIKey of 2-(2-cyclooctyl-4-methoxyphenyl)pyridine?
The InChIKey is IGTVSPRWTJHYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-22-17-12-13-18(20-11-7-8-14-21-20)19(15-17)16-9-5-3-2-4-6-10-16/h7-8,11-16H,2-6,9-10H2,1H3.
What are the key properties of 2-(2-cyclooctyl-4-methoxyphenyl)pyridine?
2-(2-cyclooctyl-4-methoxyphenyl)pyridine has a molecular weight of 295.43 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclooctyl-4-methoxyphenyl)pyridine is sourced from PubChem (CID 102473912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).