(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol

C22H29NO2 — CID 28949464

IUPAC(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
SMILESCCc1ccc([C@](C)(O)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-3-18-9-11-20(12-10-18)22(2,24)21(19-7-5-4-6-8-19)17-23-13-15-25-16-14-23/h4-12,21,24H,3,13-17H2,1-2H3/t21-,22-/m0/s1
InChIKeyJULWLWYVTQJTON-VXKWHMMOSA-N
MW339.48 g/mol
LogP3.57
Rot. Bonds6

About (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol

(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol (PubChem CID 28949464) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
PubChem CID28949464
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
SMILESCCc1ccc([C@](C)(O)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-3-18-9-11-20(12-10-18)22(2,24)21(19-7-5-4-6-8-19)17-23-13-15-25-16-14-23/h4-12,21,24H,3,13-17H2,1-2H3/t21-,22-/m0/s1
InChIKeyJULWLWYVTQJTON-VXKWHMMOSA-N
XLogP3.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949467
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
(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
(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949578
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 45128060
(2S,3S)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873947
(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873941
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
CID 45128058
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 28949289
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol?
The IUPAC name of (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol (CID 28949464) is (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol.
What is the SMILES notation for (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol?
The canonical SMILES for (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol is CCc1ccc([C@](C)(O)[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol?
The InChIKey is JULWLWYVTQJTON-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H29NO2/c1-3-18-9-11-20(12-10-18)22(2,24)21(19-7-5-4-6-8-19)17-23-13-15-25-16-14-23/h4-12,21,24H,3,13-17H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol?
(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol has a molecular weight of 339.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol is sourced from PubChem (CID 28949464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).