(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

C15H24NO3+ — CID 7058452

IUPAC(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCCc1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H23NO3/c1-2-13-3-5-15(6-4-13)19-12-14(17)11-16-7-9-18-10-8-16/h3-6,14,17H,2,7-12H2,1H3/p+1/t14-/m1/s1
InChIKeyPYXAJMVKVJIBPQ-CQSZACIVSA-O
MW266.36 g/mol
LogP-0.10
Rot. Bonds6

About (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 7058452) has the molecular formula C15H24NO3+ and a molecular weight of 266.36 g/mol. Its IUPAC name is (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID7058452
Molecular FormulaC15H24NO3+
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCCc1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H23NO3/c1-2-13-3-5-15(6-4-13)19-12-14(17)11-16-7-9-18-10-8-16/h3-6,14,17H,2,7-12H2,1H3/p+1/t14-/m1/s1
InChIKeyPYXAJMVKVJIBPQ-CQSZACIVSA-O
XLogP-0.10
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
CID 7047424
1-(4-ethylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 4743198
(2S)-1-(4-ethylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 2046208
(2S)-1-(4-ethylphenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol
CID 7386839
N-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]acetamide
CID 7263214
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6945083
1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 3980243
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7542734
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
(2S)-1-[4-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol
CID 7329915
4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
CID 6942864

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (CID 7058452) is (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is CCc1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1.
What is the InChIKey of (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is PYXAJMVKVJIBPQ-CQSZACIVSA-O. The full InChI is InChI=1S/C15H23NO3/c1-2-13-3-5-15(6-4-13)19-12-14(17)11-16-7-9-18-10-8-16/h3-6,14,17H,2,7-12H2,1H3/p+1/t14-/m1/s1.
What are the key properties of (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 266.36 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 7058452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).