4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine

C22H21NO2 — CID 155386640

IUPAC4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
SMILESCOc1cc(-c2cc(C(C)(C)C)ccn2)c2oc3ccccc3c2c1
InChIInChI=1S/C22H21NO2/c1-22(2,3)14-9-10-23-19(11-14)18-13-15(24-4)12-17-16-7-5-6-8-20(16)25-21(17)18/h5-13H,1-4H3
InChIKeyNBNGKYPMWJHSHF-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.95
Rot. Bonds2

About 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine

4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine (PubChem CID 155386640) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
PubChem CID155386640
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
SMILESCOc1cc(-c2cc(C(C)(C)C)ccn2)c2oc3ccccc3c2c1
InChIInChI=1S/C22H21NO2/c1-22(2,3)14-9-10-23-19(11-14)18-13-15(24-4)12-17-16-7-5-6-8-20(16)25-21(17)18/h5-13H,1-4H3
InChIKeyNBNGKYPMWJHSHF-UHFFFAOYSA-N
XLogP5.95
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
1-{[(E)-Pyridin-4-ylmethylimino]-methyl}-6,7,8,9-tetrahydro-dibenzofuran-2-ol
CID 916087
8-Methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidobenzofuro[3,2-c]pyridin-2-ium
CID 940897
Mat2A-IN-12
CID 945337
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
N-[2-(5-Methoxy-2-pyridin-3-ylmethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11088627
7-ethyl-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11165510
3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11406135
4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]pyridine
CID 45482767
Pyridylmethanol, 8f
CID 57340428
(Z)-ethyl 2-methyl-5-oxo-4-(((pyridin-2-ylmethyl)amino)methylene)-4,5-dihydronaphtho[1,2-b]furan-3-carboxylate
CID 1192760
(4-Methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone
CID 24747827

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine (CID 155386640) is 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine is COc1cc(-c2cc(C(C)(C)C)ccn2)c2oc3ccccc3c2c1.
What is the InChIKey of 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine?
The InChIKey is NBNGKYPMWJHSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-22(2,3)14-9-10-23-19(11-14)18-13-15(24-4)12-17-16-7-5-6-8-20(16)25-21(17)18/h5-13H,1-4H3.
What are the key properties of 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine?
4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine has a molecular weight of 331.42 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine is sourced from PubChem (CID 155386640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).