2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol

C17H25NO3 — CID 11044508

IUPAC2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol
SMILESOCCN1C[C@@H](COc2ccccc2)OC12CCCCC2
InChIInChI=1S/C17H25NO3/c19-12-11-18-13-16(14-20-15-7-3-1-4-8-15)21-17(18)9-5-2-6-10-17/h1,3-4,7-8,16,19H,2,5-6,9-14H2/t16-/m0/s1
InChIKeyIISBMLQINGFJKT-INIZCTEOSA-N
MW291.39 g/mol
LogP2.42
Rot. Bonds5

About 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol

2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol (PubChem CID 11044508) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol
PubChem CID11044508
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol
SMILESOCCN1C[C@@H](COc2ccccc2)OC12CCCCC2
InChIInChI=1S/C17H25NO3/c19-12-11-18-13-16(14-20-15-7-3-1-4-8-15)21-17(18)9-5-2-6-10-17/h1,3-4,7-8,16,19H,2,5-6,9-14H2/t16-/m0/s1
InChIKeyIISBMLQINGFJKT-INIZCTEOSA-N
XLogP2.42
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol?
The IUPAC name of 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol (CID 11044508) is 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol.
What is the SMILES notation for 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol?
The canonical SMILES for 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol is OCCN1C[C@@H](COc2ccccc2)OC12CCCCC2.
What is the InChIKey of 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol?
The InChIKey is IISBMLQINGFJKT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO3/c19-12-11-18-13-16(14-20-15-7-3-1-4-8-15)21-17(18)9-5-2-6-10-17/h1,3-4,7-8,16,19H,2,5-6,9-14H2/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol?
2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol has a molecular weight of 291.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(phenoxymethyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]ethanol is sourced from PubChem (CID 11044508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).