2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine

C20H23NO3 — CID 90428129

IUPAC2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine
SMILESCOc1ccc(OCC2=C(c3ccccc3OC)CCCC2)cn1
InChIInChI=1S/C20H23NO3/c1-22-19-10-6-5-9-18(19)17-8-4-3-7-15(17)14-24-16-11-12-20(23-2)21-13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3
InChIKeyMXQCBUNIAIPACL-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.51
Rot. Bonds6

About 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine

2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine (PubChem CID 90428129) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine
PubChem CID90428129
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine
SMILESCOc1ccc(OCC2=C(c3ccccc3OC)CCCC2)cn1
InChIInChI=1S/C20H23NO3/c1-22-19-10-6-5-9-18(19)17-8-4-3-7-15(17)14-24-16-11-12-20(23-2)21-13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3
InChIKeyMXQCBUNIAIPACL-UHFFFAOYSA-N
XLogP4.51
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
CID 123378398
5-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 90427296
[4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
CID 172632452
3-(2-methoxyphenyl)-4-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 71728506
2-(bromomethyl)-5-[(2-methoxyphenyl)methoxy]pyridine
CID 79799388
6-(2-methoxyphenoxy)pyridin-3-ol
CID 91903152
5-[(2,2-dimethylcyclopropyl)methoxy]-2-methoxypyridine
CID 144977855
2-methoxy-5-(2-propylphenyl)pyridine
CID 118003206
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol
CID 90426682
2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001949
[4-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 54940415
2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde
CID 90426956

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine?
The IUPAC name of 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine (CID 90428129) is 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine.
What is the SMILES notation for 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine?
The canonical SMILES for 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine is COc1ccc(OCC2=C(c3ccccc3OC)CCCC2)cn1.
What is the InChIKey of 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine?
The InChIKey is MXQCBUNIAIPACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-22-19-10-6-5-9-18(19)17-8-4-3-7-15(17)14-24-16-11-12-20(23-2)21-13-16/h5-6,9-13H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine?
2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine has a molecular weight of 325.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-(2-methoxyphenyl)cyclohexen-1-yl]methoxy]pyridine is sourced from PubChem (CID 90428129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).