4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol

C11H13NO — CID 84655290

IUPAC4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol
SMILESOc1ccc(N2CC3CC2C3)cc1
InChIInChI=1S/C11H13NO/c13-11-3-1-9(2-4-11)12-7-8-5-10(12)6-8/h1-4,8,10,13H,5-7H2
InChIKeyFBSCUSKMAOAPKP-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.99
Rot. Bonds1

About 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol

4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol (PubChem CID 84655290) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol
PubChem CID84655290
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol
SMILESOc1ccc(N2CC3CC2C3)cc1
InChIInChI=1S/C11H13NO/c13-11-3-1-9(2-4-11)12-7-8-5-10(12)6-8/h1-4,8,10,13H,5-7H2
InChIKeyFBSCUSKMAOAPKP-UHFFFAOYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol?
The IUPAC name of 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol (CID 84655290) is 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol.
What is the SMILES notation for 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol?
The canonical SMILES for 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol is Oc1ccc(N2CC3CC2C3)cc1.
What is the InChIKey of 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol?
The InChIKey is FBSCUSKMAOAPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-3-1-9(2-4-11)12-7-8-5-10(12)6-8/h1-4,8,10,13H,5-7H2.
What are the key properties of 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol?
4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol has a molecular weight of 175.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.1.1]hexan-2-yl)phenol is sourced from PubChem (CID 84655290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).