(2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol

C23H33NO3 — CID 7058360

IUPAC(2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCOCC1
InChIInChI=1S/C23H33NO3/c25-21(15-24-5-7-26-8-6-24)16-27-22-3-1-20(2-4-22)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21,25H,5-16H2/t17?,18?,19?,21-,23?/m0/s1
InChIKeyLMXUXNGDTHXXEF-FCSDKFEESA-N
MW371.52 g/mol
LogP3.23
Rot. Bonds6

About (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol

(2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 7058360) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID7058360
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name(2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCOCC1
InChIInChI=1S/C23H33NO3/c25-21(15-24-5-7-26-8-6-24)16-27-22-3-1-20(2-4-22)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21,25H,5-16H2/t17?,18?,19?,21-,23?/m0/s1
InChIKeyLMXUXNGDTHXXEF-FCSDKFEESA-N
XLogP3.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride
CID 21237452
1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride
CID 21237453
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7120853
1-[4-(1-adamantyl)phenoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16806820
1-[4-(1-adamantyl)phenoxy]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2921756
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28640274
1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 3980243
1-[4-(1-adamantyl)phenoxy]-3-(4-benzylpiperidin-1-yl)propan-2-ol chloride
CID 21237461
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 30930085
4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol
CID 130269238
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 7058360) is (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol is O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCOCC1.
What is the InChIKey of (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is LMXUXNGDTHXXEF-FCSDKFEESA-N. The full InChI is InChI=1S/C23H33NO3/c25-21(15-24-5-7-26-8-6-24)16-27-22-3-1-20(2-4-22)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21,25H,5-16H2/t17?,18?,19?,21-,23?/m0/s1.
What are the key properties of (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 371.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 7058360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).