4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine

C20H19NO — CID 24808152

IUPAC4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine
SMILESc1ccc(CCc2ccccc2OCc2ccncc2)cc1
InChIInChI=1S/C20H19NO/c1-2-6-17(7-3-1)10-11-19-8-4-5-9-20(19)22-16-18-12-14-21-15-13-18/h1-9,12-15H,10-11,16H2
InChIKeyZERZNONQTWORKG-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.45
Rot. Bonds6

About 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine

4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine (PubChem CID 24808152) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine
PubChem CID24808152
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine
SMILESc1ccc(CCc2ccccc2OCc2ccncc2)cc1
InChIInChI=1S/C20H19NO/c1-2-6-17(7-3-1)10-11-19-8-4-5-9-20(19)22-16-18-12-14-21-15-13-18/h1-9,12-15H,10-11,16H2
InChIKeyZERZNONQTWORKG-UHFFFAOYSA-N
XLogP4.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bisacodyl
CID 2391
(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
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Sarizotan
CID 6918388
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
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4-(Benzyloxy)pyridine N-oxide
CID 295871
CT 1730; GR 259653X
CID 89809670
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
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[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
The IUPAC name of 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine (CID 24808152) is 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine is c1ccc(CCc2ccccc2OCc2ccncc2)cc1.
What is the InChIKey of 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
The InChIKey is ZERZNONQTWORKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-6-17(7-3-1)10-11-19-8-4-5-9-20(19)22-16-18-12-14-21-15-13-18/h1-9,12-15H,10-11,16H2.
What are the key properties of 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine has a molecular weight of 289.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-phenylethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 24808152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).