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

C23H33ClNO3- — CID 21237452

IUPAC1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride
SMILESOC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCOCC1.[Cl-]
InChIInChI=1S/C23H33NO3.ClH/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;1H/p-1
InChIKeyDMQQNXNOHGAIQG-UHFFFAOYSA-M
MW406.97 g/mol
LogP0.23
Rot. Bonds6

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

1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride (PubChem CID 21237452) has the molecular formula C23H33ClNO3- and a molecular weight of 406.97 g/mol. Its IUPAC name is 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride.

Molecular Properties

Compound Name1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride
PubChem CID21237452
Molecular FormulaC23H33ClNO3-
Molecular Weight406.97 g/mol
Exact Mass406.22
IUPAC Name1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride
SMILESOC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCOCC1.[Cl-]
InChIInChI=1S/C23H33NO3.ClH/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;1H/p-1
InChIKeyDMQQNXNOHGAIQG-UHFFFAOYSA-M
XLogP0.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.97
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-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
1-[4-(1-adamantyl)phenoxy]-3-(4-benzylpiperidin-1-yl)propan-2-ol chloride
CID 21237461
(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-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride?
The IUPAC name of 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride (CID 21237452) is 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride.
What is the SMILES notation for 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride?
The canonical SMILES for 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride is OC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCOCC1.[Cl-].
What is the InChIKey of 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride?
The InChIKey is DMQQNXNOHGAIQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H33NO3.ClH/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;1H/p-1.
What are the key properties of 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride?
1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride has a molecular weight of 406.97 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride is sourced from PubChem (CID 21237452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).