(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

C14H22NO4+ — CID 6940086

IUPAC(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCOc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1
InChIInChI=1S/C14H21NO4/c1-17-13-3-2-4-14(9-13)19-11-12(16)10-15-5-7-18-8-6-15/h2-4,9,12,16H,5-8,10-11H2,1H3/p+1/t12-/m0/s1
InChIKeyXICDCMGGLNRFSN-LBPRGKRZSA-O
MW268.33 g/mol
LogP-0.65
Rot. Bonds6

About (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 6940086) has the molecular formula C14H22NO4+ and a molecular weight of 268.33 g/mol. Its IUPAC name is (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID6940086
Molecular FormulaC14H22NO4+
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCOc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1
InChIInChI=1S/C14H21NO4/c1-17-13-3-2-4-14(9-13)19-11-12(16)10-15-5-7-18-8-6-15/h2-4,9,12,16H,5-8,10-11H2,1H3/p+1/t12-/m0/s1
InChIKeyXICDCMGGLNRFSN-LBPRGKRZSA-O
XLogP-0.65
TPSA52.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 4742984
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7542734
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 7058675
(2R)-1-(3-methoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 2046839
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6945083
(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
CID 7047424
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
N-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]acetamide
CID 7263214
(2S)-1-(3-methylphenoxy)-3-(4-phenylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 6992895
(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7371555

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (CID 6940086) is (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is COc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1.
What is the InChIKey of (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is XICDCMGGLNRFSN-LBPRGKRZSA-O. The full InChI is InChI=1S/C14H21NO4/c1-17-13-3-2-4-14(9-13)19-11-12(16)10-15-5-7-18-8-6-15/h2-4,9,12,16H,5-8,10-11H2,1H3/p+1/t12-/m0/s1.
What are the key properties of (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 268.33 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 6940086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).