2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine

C21H21NO4 — CID 13386745

IUPAC2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine
SMILESCOc1cccc(Oc2ccc(OCC(C)Oc3ccccn3)cc2)c1
InChIInChI=1S/C21H21NO4/c1-16(25-21-8-3-4-13-22-21)15-24-17-9-11-18(12-10-17)26-20-7-5-6-19(14-20)23-2/h3-14,16H,15H2,1-2H3
InChIKeyNPQAJDWRWDULJJ-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.73
Rot. Bonds8

About 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine

2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine (PubChem CID 13386745) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine.

Molecular Properties

Compound Name2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine
PubChem CID13386745
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine
SMILESCOc1cccc(Oc2ccc(OCC(C)Oc3ccccn3)cc2)c1
InChIInChI=1S/C21H21NO4/c1-16(25-21-8-3-4-13-22-21)15-24-17-9-11-18(12-10-17)26-20-7-5-6-19(14-20)23-2/h3-14,16H,15H2,1-2H3
InChIKeyNPQAJDWRWDULJJ-UHFFFAOYSA-N
XLogP4.73
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenoxypropan-2-yloxy)pyridine
CID 67893782
octadecanoic acid;2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 175424671
2-[1-[4-[4-(1,2,4-triazol-1-yl)phenoxy]phenoxy]propan-2-yloxy]pyridine
CID 155936378
4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247669
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
2-methyl-5-[[4-(2-pyridin-2-yloxypropoxy)phenoxy]methyl]-1,3,4-thiadiazole
CID 15018838
2-(3-methoxyphenoxy)-1-pyridin-2-ylethanamine
CID 117241389
2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine
CID 22247739
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
(2R)-2-pyridin-2-yloxypropan-1-amine
CID 51684255
6-[(2R)-1-[4-(4-hydroxyphenoxy)phenoxy]propan-2-yl]oxypyridin-3-ol
CID 162919381
2-[2-(4-methoxyphenoxy)propoxy]naphthalene
CID 86155874

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine?
The IUPAC name of 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine (CID 13386745) is 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine.
What is the SMILES notation for 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine?
The canonical SMILES for 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine is COc1cccc(Oc2ccc(OCC(C)Oc3ccccn3)cc2)c1.
What is the InChIKey of 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine?
The InChIKey is NPQAJDWRWDULJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-16(25-21-8-3-4-13-22-21)15-24-17-9-11-18(12-10-17)26-20-7-5-6-19(14-20)23-2/h3-14,16H,15H2,1-2H3.
What are the key properties of 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine?
2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine has a molecular weight of 351.40 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-methoxyphenoxy)phenoxy]propan-2-yloxy]pyridine is sourced from PubChem (CID 13386745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).