(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol

C23H31NO2 — CID 28949517

IUPAC(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
SMILESCCc1ccc([C@@](O)(CC)[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31NO2/c1-3-19-10-12-21(13-11-19)23(25,4-2)22(20-8-6-5-7-9-20)18-24-14-16-26-17-15-24/h5-13,22,25H,3-4,14-18H2,1-2H3/t22-,23+/m1/s1
InChIKeyYLDGIIMMCYOGNH-PKTZIBPZSA-N
MW353.51 g/mol
LogP3.96
Rot. Bonds7

About (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol

(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol (PubChem CID 28949517) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
PubChem CID28949517
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
SMILESCCc1ccc([C@@](O)(CC)[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31NO2/c1-3-19-10-12-21(13-11-19)23(25,4-2)22(20-8-6-5-7-9-20)18-24-14-16-26-17-15-24/h5-13,22,25H,3-4,14-18H2,1-2H3/t22-,23+/m1/s1
InChIKeyYLDGIIMMCYOGNH-PKTZIBPZSA-N
XLogP3.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
(2S,3S)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949496
(2S,3S)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949467
(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949464
(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949578
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 45128060
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
CID 45128058
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
CID 45128037

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol?
The IUPAC name of (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol (CID 28949517) is (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol.
What is the SMILES notation for (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol?
The canonical SMILES for (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol is CCc1ccc([C@@](O)(CC)[C@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol?
The InChIKey is YLDGIIMMCYOGNH-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H31NO2/c1-3-19-10-12-21(13-11-19)23(25,4-2)22(20-8-6-5-7-9-20)18-24-14-16-26-17-15-24/h5-13,22,25H,3-4,14-18H2,1-2H3/t22-,23+/m1/s1.
What are the key properties of (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol?
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol has a molecular weight of 353.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol is sourced from PubChem (CID 28949517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).