[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol

C13H17NO2 — CID 66393102

IUPAC[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
SMILESOCc1ccccc1N1CC2CCC(C1)O2
InChIInChI=1S/C13H17NO2/c15-9-10-3-1-2-4-13(10)14-7-11-5-6-12(8-14)16-11/h1-4,11-12,15H,5-9H2
InChIKeyJKRPVBBMFZOUKO-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.55
Rot. Bonds2

About [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol

[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol (PubChem CID 66393102) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
PubChem CID66393102
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
SMILESOCc1ccccc1N1CC2CCC(C1)O2
InChIInChI=1S/C13H17NO2/c15-9-10-3-1-2-4-13(10)14-7-11-5-6-12(8-14)16-11/h1-4,11-12,15H,5-9H2
InChIKeyJKRPVBBMFZOUKO-UHFFFAOYSA-N
XLogP1.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol?
The IUPAC name of [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol (CID 66393102) is [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol.
What is the SMILES notation for [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol?
The canonical SMILES for [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol is OCc1ccccc1N1CC2CCC(C1)O2.
What is the InChIKey of [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol?
The InChIKey is JKRPVBBMFZOUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-10-3-1-2-4-13(10)14-7-11-5-6-12(8-14)16-11/h1-4,11-12,15H,5-9H2.
What are the key properties of [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol?
[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol has a molecular weight of 219.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol is sourced from PubChem (CID 66393102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).