3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol

C23H26FNO2 — CID 16673405

IUPAC3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccccc1/C=C/CN1C2CCC1CC(O)(c1ccccc1F)C2
InChIInChI=1S/C23H26FNO2/c1-27-22-11-5-2-7-17(22)8-6-14-25-18-12-13-19(25)16-23(26,15-18)20-9-3-4-10-21(20)24/h2-11,18-19,26H,12-16H2,1H3/b8-6+
InChIKeyDEANCGHOCFBBKD-SOFGYWHQSA-N
MW367.46 g/mol
LogP4.36
Rot. Bonds5

About 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol

3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 16673405) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID16673405
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccccc1/C=C/CN1C2CCC1CC(O)(c1ccccc1F)C2
InChIInChI=1S/C23H26FNO2/c1-27-22-11-5-2-7-17(22)8-6-14-25-18-12-13-19(25)16-23(26,15-18)20-9-3-4-10-21(20)24/h2-11,18-19,26H,12-16H2,1H3/b8-6+
InChIKeyDEANCGHOCFBBKD-SOFGYWHQSA-N
XLogP4.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 16673405) is 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol is COc1ccccc1/C=C/CN1C2CCC1CC(O)(c1ccccc1F)C2.
What is the InChIKey of 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DEANCGHOCFBBKD-SOFGYWHQSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-27-22-11-5-2-7-17(22)8-6-14-25-18-12-13-19(25)16-23(26,15-18)20-9-3-4-10-21(20)24/h2-11,18-19,26H,12-16H2,1H3/b8-6+.
What are the key properties of 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 367.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 16673405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).