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

C24H33NO2 — CID 28949473

IUPAC(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25/h5-13,23,26H,3-4,14-19H2,1-2H3/t23-,24-/m0/s1
InChIKeyWYNXAOLWXKUBPB-ZEQRLZLVSA-N
MW367.53 g/mol
LogP4.35
Rot. Bonds8

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

(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol (PubChem CID 28949473) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
PubChem CID28949473
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
SMILESCCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25/h5-13,23,26H,3-4,14-19H2,1-2H3/t23-,24-/m0/s1
InChIKeyWYNXAOLWXKUBPB-ZEQRLZLVSA-N
XLogP4.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949496
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 45128060
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol;hydrochloride
CID 45128058
(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949578
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
(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,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
(2R,3S)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 98214159
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol
CID 28949139
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol
CID 23607014

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The IUPAC name of (2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol (CID 28949473) is (2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol.
What is the SMILES notation for (2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The canonical SMILES for (2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol is CCC[C@](O)(c1ccc(CC)cc1)[C@@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of (2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
The InChIKey is WYNXAOLWXKUBPB-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H33NO2/c1-3-14-24(26,22-12-10-20(4-2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25/h5-13,23,26H,3-4,14-19H2,1-2H3/t23-,24-/m0/s1.
What are the key properties of (2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol?
(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol has a molecular weight of 367.53 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol is sourced from PubChem (CID 28949473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).