2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol

C16H25NO5 — CID 3090860

IUPAC2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol
SMILESOCCN1CCOCCOc2ccccc2OCCOCC1
InChIInChI=1S/C16H25NO5/c18-8-5-17-6-9-19-11-13-21-15-3-1-2-4-16(15)22-14-12-20-10-7-17/h1-4,18H,5-14H2
InChIKeyPOKAHCYUKRTNBE-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.79
Rot. Bonds2

About 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol

2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol (PubChem CID 3090860) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol.

Molecular Properties

Compound Name2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol
PubChem CID3090860
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol
SMILESOCCN1CCOCCOc2ccccc2OCCOCC1
InChIInChI=1S/C16H25NO5/c18-8-5-17-6-9-19-11-13-21-15-3-1-2-4-16(15)22-14-12-20-10-7-17/h1-4,18H,5-14H2
InChIKeyPOKAHCYUKRTNBE-UHFFFAOYSA-N
XLogP0.79
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol?
The IUPAC name of 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol (CID 3090860) is 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol.
What is the SMILES notation for 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol?
The canonical SMILES for 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol is OCCN1CCOCCOc2ccccc2OCCOCC1.
What is the InChIKey of 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol?
The InChIKey is POKAHCYUKRTNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c18-8-5-17-6-9-19-11-13-21-15-3-1-2-4-16(15)22-14-12-20-10-7-17/h1-4,18H,5-14H2.
What are the key properties of 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol?
2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol has a molecular weight of 311.38 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)ethanol is sourced from PubChem (CID 3090860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).