3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine

C20H25NO3 — CID 90426351

IUPAC3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine
SMILESCOc1cncc(OCC2CCCCC2c2ccccc2OC)c1
InChIInChI=1S/C20H25NO3/c1-22-16-11-17(13-21-12-16)24-14-15-7-3-4-8-18(15)19-9-5-6-10-20(19)23-2/h5-6,9-13,15,18H,3-4,7-8,14H2,1-2H3
InChIKeyTYYNDMGDURSAKH-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.45
Rot. Bonds6

About 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine

3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine (PubChem CID 90426351) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine.

Molecular Properties

Compound Name3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine
PubChem CID90426351
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine
SMILESCOc1cncc(OCC2CCCCC2c2ccccc2OC)c1
InChIInChI=1S/C20H25NO3/c1-22-16-11-17(13-21-12-16)24-14-15-7-3-4-8-18(15)19-9-5-6-10-20(19)23-2/h5-6,9-13,15,18H,3-4,7-8,14H2,1-2H3
InChIKeyTYYNDMGDURSAKH-UHFFFAOYSA-N
XLogP4.45
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine?
The IUPAC name of 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine (CID 90426351) is 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine.
What is the SMILES notation for 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine?
The canonical SMILES for 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine is COc1cncc(OCC2CCCCC2c2ccccc2OC)c1.
What is the InChIKey of 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine?
The InChIKey is TYYNDMGDURSAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-22-16-11-17(13-21-12-16)24-14-15-7-3-4-8-18(15)19-9-5-6-10-20(19)23-2/h5-6,9-13,15,18H,3-4,7-8,14H2,1-2H3.
What are the key properties of 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine?
3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine has a molecular weight of 327.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine is sourced from PubChem (CID 90426351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).