(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol

C26H37NO2 — CID 28949578

IUPAC(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
SMILESCCc1ccc([C@](O)(CCC(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C26H37NO2/c1-4-22-10-12-24(13-11-22)26(28,15-14-21(2)3)25(23-8-6-5-7-9-23)20-27-16-18-29-19-17-27/h5-13,21,25,28H,4,14-20H2,1-3H3/t25-,26+/m0/s1
InChIKeyNZIBQSBZASALLW-IZZNHLLZSA-N
MW395.59 g/mol
LogP4.99
Rot. Bonds9

About (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol

(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol (PubChem CID 28949578) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol.

Molecular Properties

Compound Name(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
PubChem CID28949578
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
SMILESCCc1ccc([C@](O)(CCC(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C26H37NO2/c1-4-22-10-12-24(13-11-22)26(28,15-14-21(2)3)25(23-8-6-5-7-9-23)20-27-16-18-29-19-17-27/h5-13,21,25,28H,4,14-20H2,1-3H3/t25-,26+/m0/s1
InChIKeyNZIBQSBZASALLW-IZZNHLLZSA-N
XLogP4.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 54.99
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,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
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,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)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
CID 146052045
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol?
The IUPAC name of (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol (CID 28949578) is (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol.
What is the SMILES notation for (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol?
The canonical SMILES for (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol is CCc1ccc([C@](O)(CCC(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol?
The InChIKey is NZIBQSBZASALLW-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H37NO2/c1-4-22-10-12-24(13-11-22)26(28,15-14-21(2)3)25(23-8-6-5-7-9-23)20-27-16-18-29-19-17-27/h5-13,21,25,28H,4,14-20H2,1-3H3/t25-,26+/m0/s1.
What are the key properties of (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol?
(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol has a molecular weight of 395.59 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol is sourced from PubChem (CID 28949578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).