3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol

C22H30NO3+ — CID 3326778

IUPAC3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)C(C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H29NO3/c1-2-14-26-20-10-8-19(9-11-20)22(24)21(18-6-4-3-5-7-18)17-23-12-15-25-16-13-23/h3-11,21-22,24H,2,12-17H2,1H3/p+1
InChIKeyTVWLDXUMIAMJBJ-UHFFFAOYSA-O
MW356.49 g/mol
LogP2.21
Rot. Bonds8

About 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol

3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol (PubChem CID 3326778) has the molecular formula C22H30NO3+ and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol
PubChem CID3326778
Molecular FormulaC22H30NO3+
Molecular Weight356.49 g/mol
Exact Mass356.22
IUPAC Name3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)C(C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H29NO3/c1-2-14-26-20-10-8-19(9-11-20)22(24)21(18-6-4-3-5-7-18)17-23-12-15-25-16-13-23/h3-11,21-22,24H,2,12-17H2,1H3/p+1
InChIKeyTVWLDXUMIAMJBJ-UHFFFAOYSA-O
XLogP2.21
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol
CID 7336125
1-(4-pentoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 44654845
(1R,2R)-1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol
CID 6961243
2-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)ethanone chloride
CID 44657749
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol chloride
CID 44657642
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one
CID 7033556
4-[(2R)-2-phenylpropyl]morpholin-4-ium
CID 6938323
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
CID 7047424
3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol
CID 4067318
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol?
The IUPAC name of 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol (CID 3326778) is 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol?
The canonical SMILES for 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol is CCCOc1ccc(C(O)C(C[NH+]2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol?
The InChIKey is TVWLDXUMIAMJBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29NO3/c1-2-14-26-20-10-8-19(9-11-20)22(24)21(18-6-4-3-5-7-18)17-23-12-15-25-16-13-23/h3-11,21-22,24H,2,12-17H2,1H3/p+1.
What are the key properties of 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol?
3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol has a molecular weight of 356.49 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 3326778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).