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

C21H33NO3 — CID 7064341

IUPAC(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C21H33NO3/c1-16-12-22(13-17(2)25-16)14-20(23)15-24-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h8-11,16-18,20,23H,3-7,12-15H2,1-2H3/t16-,17+,20-/m0/s1
InChIKeyYPYHVQMQVWXXGN-QKLQHJQFSA-N
MW347.50 g/mol
LogP3.58
Rot. Bonds6

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

(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 7064341) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID7064341
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Name(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C21H33NO3/c1-16-12-22(13-17(2)25-16)14-20(23)15-24-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h8-11,16-18,20,23H,3-7,12-15H2,1-2H3/t16-,17+,20-/m0/s1
InChIKeyYPYHVQMQVWXXGN-QKLQHJQFSA-N
XLogP3.58
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 6559963
1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dichloride
CID 46863733
(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6559964
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16798569
(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
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
methyl 4-[(2R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 42559903
1-(4-cyclohexylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 44787153
methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 98242648
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 7064341) is (2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is C[C@@H]1CN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)C[C@H](C)O1.
What is the InChIKey of (2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is YPYHVQMQVWXXGN-QKLQHJQFSA-N. The full InChI is InChI=1S/C21H33NO3/c1-16-12-22(13-17(2)25-16)14-20(23)15-24-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h8-11,16-18,20,23H,3-7,12-15H2,1-2H3/t16-,17+,20-/m0/s1.
What are the key properties of (2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 347.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 7064341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).