(2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol

C21H25NO4 — CID 7745763

IUPAC(2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@H](O)COc2ccc3oc4ccccc4c3c2)C[C@@H](C)O1
InChIInChI=1S/C21H25NO4/c1-14-10-22(11-15(2)25-14)12-16(23)13-24-17-7-8-21-19(9-17)18-5-3-4-6-20(18)26-21/h3-9,14-16,23H,10-13H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyCOSBGFOPJVXOPA-OAGGEKHMSA-N
MW355.43 g/mol
LogP3.43
Rot. Bonds5

About (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol

(2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 7745763) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID7745763
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@H](O)COc2ccc3oc4ccccc4c3c2)C[C@@H](C)O1
InChIInChI=1S/C21H25NO4/c1-14-10-22(11-15(2)25-14)12-16(23)13-24-17-7-8-21-19(9-17)18-5-3-4-6-20(18)26-21/h3-9,14-16,23H,10-13H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyCOSBGFOPJVXOPA-OAGGEKHMSA-N
XLogP3.43
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol with MolForge

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Related Compounds

1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3258806
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol
CID 30732583
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
7-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-4-methylchromen-2-one
CID 25409816
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803
1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 59563422
1-(2,6-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 59563443
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
CID 21237837
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 7428342
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[4-[4-[(2R)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol
CID 124765058

Frequently Asked Questions

What is the IUPAC name of (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 7745763) is (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is C[C@@H]1CN(C[C@H](O)COc2ccc3oc4ccccc4c3c2)C[C@@H](C)O1.
What is the InChIKey of (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is COSBGFOPJVXOPA-OAGGEKHMSA-N. The full InChI is InChI=1S/C21H25NO4/c1-14-10-22(11-15(2)25-14)12-16(23)13-24-17-7-8-21-19(9-17)18-5-3-4-6-20(18)26-21/h3-9,14-16,23H,10-13H2,1-2H3/t14-,15-,16+/m1/s1.
What are the key properties of (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
(2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 355.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 7745763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).