3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol

C23H32NO3+ — CID 4067318

IUPAC3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol
SMILESCCCC(O)(c1ccc(OC)cc1)C(C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C23H31NO3/c1-3-13-23(25,20-9-11-21(26-2)12-10-20)22(19-7-5-4-6-8-19)18-24-14-16-27-17-15-24/h4-12,22,25H,3,13-18H2,1-2H3/p+1
InChIKeyMCPXRMSANKDTNK-UHFFFAOYSA-O
MW370.51 g/mol
LogP2.38
Rot. Bonds8

About 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol

3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol (PubChem CID 4067318) has the molecular formula C23H32NO3+ and a molecular weight of 370.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol
PubChem CID4067318
Molecular FormulaC23H32NO3+
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol
SMILESCCCC(O)(c1ccc(OC)cc1)C(C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C23H31NO3/c1-3-13-23(25,20-9-11-21(26-2)12-10-20)22(19-7-5-4-6-8-19)18-24-14-16-27-17-15-24/h4-12,22,25H,3,13-18H2,1-2H3/p+1
InChIKeyMCPXRMSANKDTNK-UHFFFAOYSA-O
XLogP2.38
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol
CID 28949139
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
(2R,3S)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 98214159
[3-(4-ethoxyphenyl)-3-hydroxy-2-phenylhexyl]-dimethylazanium
CID 5189560
(1R,2R)-1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol
CID 1399047

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol?
The IUPAC name of 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol (CID 4067318) is 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol is CCCC(O)(c1ccc(OC)cc1)C(C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol?
The InChIKey is MCPXRMSANKDTNK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H31NO3/c1-3-13-23(25,20-9-11-21(26-2)12-10-20)22(19-7-5-4-6-8-19)18-24-14-16-27-17-15-24/h4-12,22,25H,3,13-18H2,1-2H3/p+1.
What are the key properties of 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol?
3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol has a molecular weight of 370.51 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-morpholin-4-ium-4-yl-2-phenylhexan-3-ol is sourced from PubChem (CID 4067318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).