(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol

C27H31NO3 — CID 28949170

IUPAC(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
SMILESCOc1ccc([C@](O)(Cc2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO3/c1-30-25-14-12-24(13-15-25)27(29,20-22-8-4-2-5-9-22)26(23-10-6-3-7-11-23)21-28-16-18-31-19-17-28/h2-15,26,29H,16-21H2,1H3/t26-,27-/m1/s1
InChIKeyXXRNUFCYZXIVJM-KAYWLYCHSA-N
MW417.55 g/mol
LogP4.24
Rot. Bonds8

About (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol

(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol (PubChem CID 28949170) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
PubChem CID28949170
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
SMILESCOc1ccc([C@](O)(Cc2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO3/c1-30-25-14-12-24(13-15-25)27(29,20-22-8-4-2-5-9-22)26(23-10-6-3-7-11-23)21-28-16-18-31-19-17-28/h2-15,26,29H,16-21H2,1H3/t26-,27-/m1/s1
InChIKeyXXRNUFCYZXIVJM-KAYWLYCHSA-N
XLogP4.24
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
4-morpholin-4-yl-1,2,3-triphenylbutan-2-ol;hydrochloride
CID 45128037
(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 1116989
2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 2871832
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949400
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol
CID 28949139
(2R,3R)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 28952686
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
(1S,2R)-1-cyclohexyl-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949434
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol?
The IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol (CID 28949170) is (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol.
What is the SMILES notation for (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol?
The canonical SMILES for (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol is COc1ccc([C@](O)(Cc2ccccc2)[C@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol?
The InChIKey is XXRNUFCYZXIVJM-KAYWLYCHSA-N. The full InChI is InChI=1S/C27H31NO3/c1-30-25-14-12-24(13-15-25)27(29,20-22-8-4-2-5-9-22)26(23-10-6-3-7-11-23)21-28-16-18-31-19-17-28/h2-15,26,29H,16-21H2,1H3/t26-,27-/m1/s1.
What are the key properties of (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol?
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol has a molecular weight of 417.55 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol is sourced from PubChem (CID 28949170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).