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

C16H24NO3+ — CID 6945083

IUPAC(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESO[C@@H](COc1ccc2c(c1)CCC2)C[NH+]1CCOCC1
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/p+1/t15-/m1/s1
InChIKeyNZRUJSPPYSVHTK-OAHLLOKOSA-O
MW278.37 g/mol
LogP-0.17
Rot. Bonds5

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

(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 6945083) has the molecular formula C16H24NO3+ and a molecular weight of 278.37 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID6945083
Molecular FormulaC16H24NO3+
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESO[C@@H](COc1ccc2c(c1)CCC2)C[NH+]1CCOCC1
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/p+1/t15-/m1/s1
InChIKeyNZRUJSPPYSVHTK-OAHLLOKOSA-O
XLogP-0.17
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol
CID 6945119
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
CID 7157647
(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7375715
(2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
CID 7157642
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
CID 7047424
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 3980243
(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629003
N-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]acetamide
CID 7263214
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 7353270

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol (CID 6945083) is (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol is O[C@@H](COc1ccc2c(c1)CCC2)C[NH+]1CCOCC1.
What is the InChIKey of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is NZRUJSPPYSVHTK-OAHLLOKOSA-O. 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/p+1/t15-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 278.37 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 6945083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).