2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine

C18H21NO3 — CID 135121703

IUPAC2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine
SMILESCC1(C)COC(c2ccc(COc3ccccn3)cc2)OC1
InChIInChI=1S/C18H21NO3/c1-18(2)12-21-17(22-13-18)15-8-6-14(7-9-15)11-20-16-5-3-4-10-19-16/h3-10,17H,11-13H2,1-2H3
InChIKeyUOCYFVVUFQDJJB-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.73
Rot. Bonds4

About 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine

2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine (PubChem CID 135121703) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine
PubChem CID135121703
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine
SMILESCC1(C)COC(c2ccc(COc3ccccn3)cc2)OC1
InChIInChI=1S/C18H21NO3/c1-18(2)12-21-17(22-13-18)15-8-6-14(7-9-15)11-20-16-5-3-4-10-19-16/h3-10,17H,11-13H2,1-2H3
InChIKeyUOCYFVVUFQDJJB-UHFFFAOYSA-N
XLogP3.73
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine?
The IUPAC name of 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine (CID 135121703) is 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine.
What is the SMILES notation for 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine?
The canonical SMILES for 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine is CC1(C)COC(c2ccc(COc3ccccn3)cc2)OC1.
What is the InChIKey of 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine?
The InChIKey is UOCYFVVUFQDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2)12-21-17(22-13-18)15-8-6-14(7-9-15)11-20-16-5-3-4-10-19-16/h3-10,17H,11-13H2,1-2H3.
What are the key properties of 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine?
2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine has a molecular weight of 299.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methoxy]pyridine is sourced from PubChem (CID 135121703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).