1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol

C16H23NO3 — CID 2918164

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1ccc2c(c1)CCC2)CN1CCOCC1
InChIInChI=1S/C16H23NO3/c18-15(11-17-6-8-19-9-7-17)12-20-16-5-4-13-2-1-3-14(13)10-16/h4-5,10,15,18H,1-3,6-9,11-12H2
InChIKeyNZRUJSPPYSVHTK-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.25
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol

1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol (PubChem CID 2918164) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol
PubChem CID2918164
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1ccc2c(c1)CCC2)CN1CCOCC1
InChIInChI=1S/C16H23NO3/c18-15(11-17-6-8-19-9-7-17)12-20-16-5-4-13-2-1-3-14(13)10-16/h4-5,10,15,18H,1-3,6-9,11-12H2
InChIKeyNZRUJSPPYSVHTK-UHFFFAOYSA-N
XLogP1.25
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol (CID 2918164) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol is OC(COc1ccc2c(c1)CCC2)CN1CCOCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is NZRUJSPPYSVHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-15(11-17-6-8-19-9-7-17)12-20-16-5-4-13-2-1-3-14(13)10-16/h4-5,10,15,18H,1-3,6-9,11-12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 277.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 2918164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).