2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol

C13H17NO — CID 125450079

IUPAC2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol
SMILESOc1ccccc1[C@H]1CNCC12CCC2
InChIInChI=1S/C13H17NO/c15-12-5-2-1-4-10(12)11-8-14-9-13(11)6-3-7-13/h1-2,4-5,11,14-15H,3,6-9H2/t11-/m1/s1
InChIKeyPINXMZDRIKYQRD-LLVKDONJSA-N
MW203.29 g/mol
LogP2.25
Rot. Bonds1

About 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol

2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol (PubChem CID 125450079) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol.

Molecular Properties

Compound Name2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol
PubChem CID125450079
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol
SMILESOc1ccccc1[C@H]1CNCC12CCC2
InChIInChI=1S/C13H17NO/c15-12-5-2-1-4-10(12)11-8-14-9-13(11)6-3-7-13/h1-2,4-5,11,14-15H,3,6-9H2/t11-/m1/s1
InChIKeyPINXMZDRIKYQRD-LLVKDONJSA-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 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol?
The IUPAC name of 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol (CID 125450079) is 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol.
What is the SMILES notation for 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol?
The canonical SMILES for 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol is Oc1ccccc1[C@H]1CNCC12CCC2.
What is the InChIKey of 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol?
The InChIKey is PINXMZDRIKYQRD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO/c15-12-5-2-1-4-10(12)11-8-14-9-13(11)6-3-7-13/h1-2,4-5,11,14-15H,3,6-9H2/t11-/m1/s1.
What are the key properties of 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol?
2-[(8S)-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 2-[(8S)-6-azaspiro[3.4]octan-8-yl]phenol is sourced from PubChem (CID 125450079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).