3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol

C17H17NO2 — CID 10683266

IUPAC3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
SMILESOc1cccc(-c2ccoc2C2=CN3CCC2CC3)c1
InChIInChI=1S/C17H17NO2/c19-14-3-1-2-13(10-14)15-6-9-20-17(15)16-11-18-7-4-12(16)5-8-18/h1-3,6,9-12,19H,4-5,7-8H2
InChIKeyQOXJSXPGWIRRNX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.72
Rot. Bonds2

About 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol

3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol (PubChem CID 10683266) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol.

Molecular Properties

Compound Name3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
PubChem CID10683266
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
SMILESOc1cccc(-c2ccoc2C2=CN3CCC2CC3)c1
InChIInChI=1S/C17H17NO2/c19-14-3-1-2-13(10-14)15-6-9-20-17(15)16-11-18-7-4-12(16)5-8-18/h1-3,6,9-12,19H,4-5,7-8H2
InChIKeyQOXJSXPGWIRRNX-UHFFFAOYSA-N
XLogP3.72
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol with MolForge

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Related Compounds

4-{5-(4-Hydroxy-phenyl)-4-methyl-3-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-furan-2-yl}-phenol
CID 10344612
4-[2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol
CID 10754304
4-{3-(4-Hydroxy-phenyl)-4-ethyl-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-furan-2-yl}-phenol
CID 44319061
4-{3-Ethyl-5-phenyl-4-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-furan-2-yl}-phenol
CID 44319097
Methyl 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]benzoate
CID 44349519
3-(3-Phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 9794960
3-(4-Phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10658402
3-(5-Phenylfuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10729440
1-(3-(2-Furanyl)propyl)-3,4-dimethyl-4-(3-hydroxyphenyl)piperidine
CID 204098
4-{5-(4-Hydroxy-phenyl)-4-propyl-3-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-furan-2-yl}-phenol
CID 10323601
4-{5-(4-Hydroxy-phenyl)-4-ethyl-3-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-furan-2-yl}-phenol
CID 10480448
3-[3-[4-(Trifluoromethyl)phenyl]furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
CID 10519655

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol?
The IUPAC name of 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol (CID 10683266) is 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol.
What is the SMILES notation for 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol?
The canonical SMILES for 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol is Oc1cccc(-c2ccoc2C2=CN3CCC2CC3)c1.
What is the InChIKey of 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol?
The InChIKey is QOXJSXPGWIRRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-14-3-1-2-13(10-14)15-6-9-20-17(15)16-11-18-7-4-12(16)5-8-18/h1-3,6,9-12,19H,4-5,7-8H2.
What are the key properties of 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol?
3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol has a molecular weight of 267.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]phenol is sourced from PubChem (CID 10683266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).