4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol

C13H17NO — CID 125450482

IUPAC4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol
SMILESOc1ccc([C@H]2CNCC23CCC3)cc1
InChIInChI=1S/C13H17NO/c15-11-4-2-10(3-5-11)12-8-14-9-13(12)6-1-7-13/h2-5,12,14-15H,1,6-9H2/t12-/m1/s1
InChIKeyYMCGVBWPLSOATO-GFCCVEGCSA-N
MW203.29 g/mol
LogP2.25
Rot. Bonds1

About 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol

4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol (PubChem CID 125450482) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol.

Molecular Properties

Compound Name4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol
PubChem CID125450482
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol
SMILESOc1ccc([C@H]2CNCC23CCC3)cc1
InChIInChI=1S/C13H17NO/c15-11-4-2-10(3-5-11)12-8-14-9-13(12)6-1-7-13/h2-5,12,14-15H,1,6-9H2/t12-/m1/s1
InChIKeyYMCGVBWPLSOATO-GFCCVEGCSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol?
The IUPAC name of 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol (CID 125450482) is 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol.
What is the SMILES notation for 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol?
The canonical SMILES for 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol is Oc1ccc([C@H]2CNCC23CCC3)cc1.
What is the InChIKey of 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol?
The InChIKey is YMCGVBWPLSOATO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO/c15-11-4-2-10(3-5-11)12-8-14-9-13(12)6-1-7-13/h2-5,12,14-15H,1,6-9H2/t12-/m1/s1.
What are the key properties of 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol?
4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol has a molecular weight of 203.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8R)-6-azaspiro[3.4]octan-8-yl]phenol is sourced from PubChem (CID 125450482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).