2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine

C21H21NO — CID 135021360

IUPAC2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine
SMILESCC(C)c1ccccc1OCc1ccccc1-c1ccccn1
InChIInChI=1S/C21H21NO/c1-16(2)18-10-5-6-13-21(18)23-15-17-9-3-4-11-19(17)20-12-7-8-14-22-20/h3-14,16H,15H2,1-2H3
InChIKeyOFTVCFKBRCLFRO-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.45
Rot. Bonds5

About 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine

2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine (PubChem CID 135021360) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine
PubChem CID135021360
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine
SMILESCC(C)c1ccccc1OCc1ccccc1-c1ccccn1
InChIInChI=1S/C21H21NO/c1-16(2)18-10-5-6-13-21(18)23-15-17-9-3-4-11-19(17)20-12-7-8-14-22-20/h3-14,16H,15H2,1-2H3
InChIKeyOFTVCFKBRCLFRO-UHFFFAOYSA-N
XLogP5.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propan-2-ylphenyl)pyridine
CID 55253137
2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde
CID 87257554
1-[(2-propan-2-ylphenoxy)methyl]naphthalene
CID 60627391
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
2-(4-fluoro-2-propan-2-ylphenyl)pyridine
CID 143485897
[2-(2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255036
2-[2-(1-methoxybutyl)phenyl]pyridine
CID 138475657
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine?
The IUPAC name of 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine (CID 135021360) is 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine.
What is the SMILES notation for 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine?
The canonical SMILES for 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine is CC(C)c1ccccc1OCc1ccccc1-c1ccccn1.
What is the InChIKey of 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine?
The InChIKey is OFTVCFKBRCLFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-16(2)18-10-5-6-13-21(18)23-15-17-9-3-4-11-19(17)20-12-7-8-14-22-20/h3-14,16H,15H2,1-2H3.
What are the key properties of 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine?
2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine has a molecular weight of 303.41 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine is sourced from PubChem (CID 135021360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).