3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine

C19H22ClNO2 — CID 90426536

IUPAC3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine
SMILESCOc1cncc(OCC2CCCCC2c2ccccc2Cl)c1
InChIInChI=1S/C19H22ClNO2/c1-22-15-10-16(12-21-11-15)23-13-14-6-2-3-7-17(14)18-8-4-5-9-19(18)20/h4-5,8-12,14,17H,2-3,6-7,13H2,1H3
InChIKeySITALFACYGMXSV-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.10
Rot. Bonds5

About 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine

3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine (PubChem CID 90426536) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine
PubChem CID90426536
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine
SMILESCOc1cncc(OCC2CCCCC2c2ccccc2Cl)c1
InChIInChI=1S/C19H22ClNO2/c1-22-15-10-16(12-21-11-15)23-13-14-6-2-3-7-17(14)18-8-4-5-9-19(18)20/h4-5,8-12,14,17H,2-3,6-7,13H2,1H3
InChIKeySITALFACYGMXSV-UHFFFAOYSA-N
XLogP5.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine?
The IUPAC name of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine (CID 90426536) is 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine?
The canonical SMILES for 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine is COc1cncc(OCC2CCCCC2c2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine?
The InChIKey is SITALFACYGMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-22-15-10-16(12-21-11-15)23-13-14-6-2-3-7-17(14)18-8-4-5-9-19(18)20/h4-5,8-12,14,17H,2-3,6-7,13H2,1H3.
What are the key properties of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine?
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine has a molecular weight of 331.84 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine is sourced from PubChem (CID 90426536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).