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

C23H34NO3+ — CID 3980243

IUPAC1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESOC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCOCC1
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/p+1
InChIKeyLMXUXNGDTHXXEF-UHFFFAOYSA-O
MW372.53 g/mol
LogP1.81
Rot. Bonds6

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

1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 3980243) has the molecular formula C23H34NO3+ and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID3980243
Molecular FormulaC23H34NO3+
Molecular Weight372.53 g/mol
Exact Mass372.25
IUPAC Name1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESOC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCOCC1
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/p+1
InChIKeyLMXUXNGDTHXXEF-UHFFFAOYSA-O
XLogP1.81
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 7058360
1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride
CID 21237452
(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
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6945083
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[(2S,6S)-2,4,6-trimethylmorpholin-4-ium-4-yl]propan-2-ol
CID 51696307
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 7158086
N-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]acetamide
CID 7263214
1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride
CID 21237453
(2R)-1-[4-(1-adamantyl)phenoxy]-3-(1-methylazepan-1-ium-1-yl)propan-2-ol
CID 27452544
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7120853
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol (CID 3980243) is 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol is OC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCOCC1.
What is the InChIKey of 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is LMXUXNGDTHXXEF-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol?
1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 372.53 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 3980243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).