(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol

C26H29NO2 — CID 28949289

IUPAC(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
SMILESCc1ccc([C@@](O)(c2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-21-12-14-24(15-13-21)26(28,23-10-6-3-7-11-23)25(22-8-4-2-5-9-22)20-27-16-18-29-19-17-27/h2-15,25,28H,16-20H2,1H3/t25-,26+/m1/s1
InChIKeyBBUXSGAOMXEODN-FTJBHMTQSA-N
MW387.52 g/mol
LogP4.35
Rot. Bonds6

About (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol

(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol (PubChem CID 28949289) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
PubChem CID28949289
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
SMILESCc1ccc([C@@](O)(c2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-21-12-14-24(15-13-21)26(28,23-10-6-3-7-11-23)25(22-8-4-2-5-9-22)20-27-16-18-29-19-17-27/h2-15,25,28H,16-20H2,1H3/t25-,26+/m1/s1
InChIKeyBBUXSGAOMXEODN-FTJBHMTQSA-N
XLogP4.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647
(1R,2R)-3-(azepan-1-yl)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-2-phenylpropan-1-ol
CID 40965480
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol
CID 45106438
1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
CID 146052061
4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
CID 45128037
1-cyclohexyl-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 23604846
(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
(2S,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949517

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol?
The IUPAC name of (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol (CID 28949289) is (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol?
The canonical SMILES for (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol is Cc1ccc([C@@](O)(c2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol?
The InChIKey is BBUXSGAOMXEODN-FTJBHMTQSA-N. The full InChI is InChI=1S/C26H29NO2/c1-21-12-14-24(15-13-21)26(28,23-10-6-3-7-11-23)25(22-8-4-2-5-9-22)20-27-16-18-29-19-17-27/h2-15,25,28H,16-20H2,1H3/t25-,26+/m1/s1.
What are the key properties of (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol?
(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol has a molecular weight of 387.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol is sourced from PubChem (CID 28949289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).