4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine

C18H21NO3 — CID 59727716

IUPAC4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine
SMILESCOc1ccc(-c2ccncc2)cc1CC1COC(C)(C)O1
InChIInChI=1S/C18H21NO3/c1-18(2)21-12-16(22-18)11-15-10-14(4-5-17(15)20-3)13-6-8-19-9-7-13/h4-10,16H,11-12H2,1-3H3
InChIKeyPQILIRLBMUFEEX-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.45
Rot. Bonds4

About 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine

4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine (PubChem CID 59727716) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine.

Molecular Properties

Compound Name4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine
PubChem CID59727716
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine
SMILESCOc1ccc(-c2ccncc2)cc1CC1COC(C)(C)O1
InChIInChI=1S/C18H21NO3/c1-18(2)21-12-16(22-18)11-15-10-14(4-5-17(15)20-3)13-6-8-19-9-7-13/h4-10,16H,11-12H2,1-3H3
InChIKeyPQILIRLBMUFEEX-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine?
The IUPAC name of 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine (CID 59727716) is 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine.
What is the SMILES notation for 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine?
The canonical SMILES for 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine is COc1ccc(-c2ccncc2)cc1CC1COC(C)(C)O1.
What is the InChIKey of 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine?
The InChIKey is PQILIRLBMUFEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2)21-12-16(22-18)11-15-10-14(4-5-17(15)20-3)13-6-8-19-9-7-13/h4-10,16H,11-12H2,1-3H3.
What are the key properties of 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine?
4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine has a molecular weight of 299.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxyphenyl]pyridine is sourced from PubChem (CID 59727716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).